Molecule FYI-1001605

A

Molecule Summary:

ID: FYI-1001605
SMILES: COC(=O)N(C(=O)OC(C)(C)C)c3ccn(C2OC1CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)(C)C)OC1C2OS(C)(=O)=O)c(=O)n3.CC(C)C

Received at FYIcenter.com on: 2022-09-28

Molecule ID: FYI-1001605 Edit

Molecule Structure SMILES String: COC(=O)N(C(=O)OC(C)(C)C)c3ccn(C2OC1CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)(C)C)OC1C2OS(C)(=O)=O)c(=O)n3.CC(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1001605
FYIcenter.com

 52 53  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.3190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3062    2.7944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3709    1.9009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1296    0.5321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6771    2.3763    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7419    1.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5005    0.1140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0481    1.9582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1128    1.0649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2193    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1775    0.1714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0063    2.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9185    3.7452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8536    4.6386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0951    6.0075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4012    6.4829    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6425    7.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8919    8.4611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6984    9.8376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8370   10.6349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0783   12.0037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2812   13.1423    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    7.0280   14.3146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1598   15.7135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4166   14.2540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7213   14.4145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3397   14.5659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7400   15.6576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9123   13.3837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7737   12.5864    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    2.6311   13.3467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3684   12.6914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6620   14.7219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5014   12.0265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0489   10.7423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292   11.4668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8977   13.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5617   11.2301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3295   10.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6771    8.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3006    8.6582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7799    7.3694    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2592    6.0806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0687    6.8487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4911    7.8901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4660    5.5894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7721    6.0649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2247    4.2205    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6653    8.0370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2753    8.0370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5803    9.2409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5803    6.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 12  9  1  0  0  0  0
 13  5  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 23  1  0  0  0  0
 26 22  1  0  0  0  0
 27 26  1  0  0  0  0
 28 26  1  0  0  0  0
 29 22  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33 31  1  0  0  0  0
 34 30  1  0  0  0  0
 35 34  1  0  0  0  0
 36 34  1  0  0  0  0
 37 34  1  0  0  0  0
 38 30  1  0  0  0  0
 39 38  1  0  0  0  0
 39 19  1  0  0  0  0
 40 39  1  0  0  0  0
 40 17  1  0  0  0  0
 41 40  1  0  0  0  0
 42 41  1  0  0  0  0
 43 42  1  0  0  0  0
 44 42  2  0  0  0  0
 45 42  2  0  0  0  0
 46 16  1  0  0  0  0
 47 46  2  0  0  0  0
 48 46  1  0  0  0  0
 48 13  2  0  0  0  0
 50 49  1  0  0  0  0
 51 50  1  0  0  0  0
 52 50  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001605-3D
FYIcenter.com

115116  0  0  1  0  0  0  0  0999 V2000
    4.3652   -3.2561   -0.4844 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5128   -1.9715    0.1373 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3528   -0.9547   -0.2765 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0565   -1.0227   -1.2705 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4171    0.0051    0.7314 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9196    1.2939    0.6245 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0721    1.5915    0.9980 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0312    2.2398    0.1691 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2926    3.6916    0.2918 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6234    4.1399   -0.3349 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1638    4.4200   -0.4691 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2174    4.1574    1.7541 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5466   -0.5160    1.9829 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3202   -1.7772    2.1082 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5325   -2.1666    3.3643 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0587   -1.4161    4.4055 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7599   -1.3974    5.6539 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.9584   -2.1597    5.5462 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5611   -2.1243    6.8597 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.7290   -3.1133    6.6695 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5934   -3.4084    7.7333 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9658   -4.2659    8.9990 Si  0  0  0  0  0  0  0  0  0  0  0  0
    8.6406   -5.7260    8.3201 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3317   -5.2746    7.6528 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2565   -6.7076    7.3244 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3469   -5.0060   10.1415 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3631   -5.9061    9.4495 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0951   -3.8724   10.8790 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2714   -3.0337    9.9434 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7050   -2.8426   10.4633 Si  0  0  3  0  0  0  0  0  0  0  0  0
    7.5330   -4.4988   11.6150 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5109   -4.5464   12.8074 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1468   -4.9631   12.0231 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1788   -1.2156   11.5126 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4471    0.0917   10.7345 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6559   -1.2910   11.8011 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9244   -1.1074   12.8549 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9441   -2.8432    8.9667 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3214   -1.9733    7.8766 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0840   -1.8984    6.9182 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5414   -3.2154    6.7919 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0504   -3.4801    6.2160 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6791   -4.9327    7.1821 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1671   -2.4188    6.6428 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1629   -3.8875    4.8312 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2167   -0.3135    4.2330 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7906    0.2967    5.1978 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0111    0.1383    2.9549 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8447   -0.8703   -0.8376 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2501   -0.3767   -1.1402 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8299   -1.0639   -2.3773 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3421    1.1334   -1.2872 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2911   -3.4550   -0.5859 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7531   -4.0201    0.1986 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8518   -3.3284   -1.4572 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6915    3.8301   -1.3815 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4902    3.7298    0.1878 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7262    5.2324   -0.2927 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1269    4.1115   -1.5187 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2995    5.5097   -0.4408 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1828    4.1973   -0.0350 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9797    3.6825    2.3776 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2427    3.9215    2.1967 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3578    5.2453    1.8274 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7515   -2.3208    1.2729 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1315   -3.0452    3.5717 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0938   -0.3653    5.8055 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0587   -1.1436    6.9053 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3879   -2.6471    5.9170 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4308   -4.0269    6.1430 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3789   -6.2780    9.2252 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4994   -4.4880    6.9231 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5781   -4.9765    8.3822 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8462   -6.0766    7.0826 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4946   -6.2260    6.3677 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5356   -7.5031    7.1042 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1525   -7.1897    7.7167 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8100   -5.6056   10.8855 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1188   -5.3221    8.9141 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9015   -6.5923    8.7395 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8824   -6.5129   10.2003 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4779   -3.1197   10.1779 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9441   -4.2612   11.4496 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4386   -3.3497   11.5845 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8942   -5.2683   10.9335 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3511   -3.7476   13.5289 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5526   -4.4810   12.4827 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4081   -5.4889   13.3576 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8269   -4.5143   12.9671 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1790   -6.0507   12.1852 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3986   -4.7713   11.2519 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8108    0.1778    9.8495 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4948    0.1728   10.4257 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2166    0.9680   11.3538 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0743   -1.4159   10.8796 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3021   -0.3764   12.2911 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4118   -2.1290   12.4631 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0109   -1.1354   12.7200 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6316   -1.9018   13.5424 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6752   -0.1701   13.3675 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4519   -0.9642    8.2793 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3270   -1.2106    7.3073 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8748   -4.7290    8.2366 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2906   -5.7652    6.8284 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6217   -5.1739    7.0456 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7296   -1.9248   -1.1110 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0894   -0.2822   -1.3609 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6528   -0.8007    0.2399 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8257   -0.6296   -0.2538 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3627   -0.7007   -3.2948 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6883   -2.1477   -2.3387 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9023   -0.8767   -2.4738 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8572    1.4778   -2.2037 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3907    1.4337   -1.3487 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8905    1.6434   -0.4313 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 53  1  0  0  0  0
  1 54  1  0  0  0  0
  1 55  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 56  1  0  0  0  0
 10 57  1  0  0  0  0
 10 58  1  0  0  0  0
 11 59  1  0  0  0  0
 11 60  1  0  0  0  0
 11 61  1  0  0  0  0
 12 62  1  0  0  0  0
 12 63  1  0  0  0  0
 12 64  1  0  0  0  0
 13 14  1  0  0  0  0
 13 48  2  0  0  0  0
 14 15  2  0  0  0  0
 14 65  1  0  0  0  0
 15 16  1  0  0  0  0
 15 66  1  0  0  0  0
 16 17  1  0  0  0  0
 16 46  1  0  0  0  0
 17 18  1  0  0  0  0
 17 40  1  0  0  0  0
 17 67  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 39  1  0  0  0  0
 19 68  1  0  0  0  0
 20 21  1  0  0  0  0
 20 69  1  0  0  0  0
 20 70  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 26  1  0  0  0  0
 22 29  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 71  1  0  0  0  0
 24 72  1  0  0  0  0
 24 73  1  0  0  0  0
 24 74  1  0  0  0  0
 25 75  1  0  0  0  0
 25 76  1  0  0  0  0
 25 77  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 78  1  0  0  0  0
 27 79  1  0  0  0  0
 27 80  1  0  0  0  0
 27 81  1  0  0  0  0
 28 82  1  0  0  0  0
 28 83  1  0  0  0  0
 28 84  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 34  1  0  0  0  0
 30 38  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 31 85  1  0  0  0  0
 32 86  1  0  0  0  0
 32 87  1  0  0  0  0
 32 88  1  0  0  0  0
 33 89  1  0  0  0  0
 33 90  1  0  0  0  0
 33 91  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 34 37  1  0  0  0  0
 35 92  1  0  0  0  0
 35 93  1  0  0  0  0
 35 94  1  0  0  0  0
 36 95  1  0  0  0  0
 36 96  1  0  0  0  0
 36 97  1  0  0  0  0
 37 98  1  0  0  0  0
 37 99  1  0  0  0  0
 37100  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39101  1  0  0  0  0
 40 41  1  0  0  0  0
 40102  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 42 44  2  0  0  0  0
 42 45  2  0  0  0  0
 43103  1  0  0  0  0
 43104  1  0  0  0  0
 43105  1  0  0  0  0
 46 47  2  0  0  0  0
 46 48  1  0  0  0  0
 49 50  1  0  0  0  0
 49106  1  0  0  0  0
 49107  1  0  0  0  0
 49108  1  0  0  0  0
 50 51  1  0  0  0  0
 50 52  1  0  0  0  0
 50109  1  0  0  0  0
 51110  1  0  0  0  0
 51111  1  0  0  0  0
 51112  1  0  0  0  0
 52113  1  0  0  0  0
 52114  1  0  0  0  0
 52115  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-10-07, 756👍, 0💬