Molecule FYI-1005906

A

Molecule Summary:

ID: FYI-1005906
Names:
InChIKey: DSUHTCDYHNKKDP-UHFFFAOYSA-N
SMILES: CCS(=O)(=O)c4ccc(CC(=O)Nc3ccc(c2ccc(CC1CCN(C(=O)C(C)(C)C)CC1)cc2C(F)(F)F)c(Cl)c3)cc4

Received at FYIcenter.com on: 2023-11-20

Molecule ID: FYI-1005906 Edit

Molecule Structure InChIKey: DSUHTCDYHNKKDP-UHFFFAOYSA-N

Molecule Structure SMILES String: CCS(=O)(=O)c4ccc(CC(=O)Nc3ccc(c2ccc(CC1CCN(C(=O)C(C)(C)C)CC1)cc2C(F)(F)F)c(Cl)c3)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1005906
FYIcenter.com

 45 48  0  0  0  0  0  0  0  0999 V2000
   18.3252    2.1235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3252    3.5235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1128    4.2235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9004    3.5235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9004    2.1235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1128    1.4235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5377    4.2235    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   20.7501    3.5235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5377    5.6235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7501    4.9235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7501    2.1235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6879    1.4235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4755    2.1235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2630    1.4235    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4755    3.5235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9753    1.9727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8070    3.3626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5192    3.9118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3997    3.0711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5680    1.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8558    1.1321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1119    3.6203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9437    5.0102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6559    5.5594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5364    4.7188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7046    3.3289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9924    2.7797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1607    1.3899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0412    0.5492    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.4485    0.8406    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3289    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.3510    5.3016    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2486    5.2680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0803    6.6578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1999    7.4985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0316    8.8883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7438    9.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6243    8.5969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7926    7.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5756   10.8274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6951   11.6680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2878   11.3766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1195   12.7664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1683   10.5359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.9258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  2  0  0  0  0
  8 11  1  0  0  0  0
  5 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 19 22  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
 18 32  1  0  0  0  0
 25 33  1  0  0  0  0
 33 34  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 34 39  1  0  0  0  0
 34 35  1  0  0  0  0
 37 40  1  0  0  0  0
 40 41  2  0  0  0  0
 40 42  1  0  0  0  0
 42 43  1  0  0  0  0
 42 44  1  0  0  0  0
 42 45  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005906-3D
FYIcenter.com

 83 86  0     0  0  0  0  0  0999 V2000
    0.8843   -1.2401    2.5145 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  -10.4338    2.1164   -0.1005 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8216    2.1481   -1.1270 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0126    1.0513   -1.5277 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.6720    1.3047    0.5146 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.0263    0.5873    0.0398 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1642   -2.2102   -0.8344 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6242    1.4842   -0.6527 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5525    2.9976    1.0524 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7571    0.2304    0.3858 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9904   -1.9021    1.1813 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3944   -1.0009   -0.7614 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3988    0.4626   -0.2941 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8118   -1.4331   -1.1664 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4296    0.6901    0.8104 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8120   -1.1679   -0.0436 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4148   -1.1998   -1.9154 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9210    0.9979    0.4026 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7882    2.4161    0.8974 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9944   -1.2878   -1.4285 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1614    3.0880    0.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7969    3.1602    0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2739    2.3653    2.3365 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2231   -0.1311   -1.3135 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4484   -2.5265   -1.0917 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9059   -0.2132   -0.8620 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1313   -2.6085   -0.6398 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3598   -1.4520   -0.5252 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1096    1.0476   -0.7518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0059   -1.5643   -0.0535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3254   -1.4814    1.3020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0146   -1.7594   -0.9970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6534   -1.5938    1.7137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3426   -1.8721   -0.5853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6620   -1.7893    0.7701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1322   -2.1004    0.3872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3882   -2.1661    1.2419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3970   -1.0987    0.9070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2643    0.8792    0.2869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6796    3.0406   -1.4197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3518    0.1327    1.5607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3761   -1.3413   -0.0566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2852    1.1218    1.2505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3097   -0.3523   -0.3666 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5706    4.1703   -1.8854 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0925   -1.6312    0.0875 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6165    1.1235   -1.1419 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4176    0.7480    0.0977 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8250   -2.4993   -1.4206 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1213   -0.8816   -2.0637 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3400    1.7123    1.1422 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1604    0.0775    1.6814 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5825   -1.7889    0.8304 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8198   -1.4342   -0.3774 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6492   -2.1276   -2.4545 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5111   -0.4009   -2.6621 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1076    4.1200    1.2096 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5551    3.1226   -0.1797 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8976    2.5595    1.4609 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9116    3.5468    0.5158 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4748    2.5844   -0.8731 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2695    4.0583   -0.4198 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3859    2.9820    2.5127 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0806    1.3577    2.7200 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0287    2.7742    3.0221 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6543    0.8279   -1.5885 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0397   -3.4346   -1.1744 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7229   -3.5827   -0.3809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7844   -1.8257   -2.0581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9053   -1.5294    2.7703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0658   -2.0216   -1.3745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1311   -1.8274    2.1862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8306   -3.1594    1.0910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1532   -2.1180    2.3119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7286    3.4344   -1.0487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4835    2.3470   -2.2429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5914    0.3340    2.3106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4198   -2.2955   -0.5749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2263    2.0759    1.7666 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0594   -0.5599   -1.1249 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0875    4.7271   -2.6941 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7823    4.8696   -1.0702 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5282    3.7926   -2.2578 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 31  1  0  0  0  0
  2  8  2  0  0  0  0
  2  9  2  0  0  0  0
  2 39  1  0  0  0  0
  2 40  1  0  0  0  0
  3 29  1  0  0  0  0
  4 29  1  0  0  0  0
  5 29  1  0  0  0  0
  6 18  2  0  0  0  0
  7 36  2  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 18  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 11 72  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 17  1  0  0  0  0
 12 46  1  0  0  0  0
 13 15  1  0  0  0  0
 13 47  1  0  0  0  0
 13 48  1  0  0  0  0
 14 16  1  0  0  0  0
 14 49  1  0  0  0  0
 14 50  1  0  0  0  0
 15 51  1  0  0  0  0
 15 52  1  0  0  0  0
 16 53  1  0  0  0  0
 16 54  1  0  0  0  0
 17 20  1  0  0  0  0
 17 55  1  0  0  0  0
 17 56  1  0  0  0  0
 18 19  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  2  0  0  0  0
 20 25  1  0  0  0  0
 21 57  1  0  0  0  0
 21 58  1  0  0  0  0
 21 59  1  0  0  0  0
 22 60  1  0  0  0  0
 22 61  1  0  0  0  0
 22 62  1  0  0  0  0
 23 63  1  0  0  0  0
 23 64  1  0  0  0  0
 23 65  1  0  0  0  0
 24 26  1  0  0  0  0
 24 66  1  0  0  0  0
 25 27  2  0  0  0  0
 25 67  1  0  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
 27 28  1  0  0  0  0
 27 68  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 32 34  2  0  0  0  0
 32 69  1  0  0  0  0
 33 35  2  0  0  0  0
 33 70  1  0  0  0  0
 34 35  1  0  0  0  0
 34 71  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 73  1  0  0  0  0
 37 74  1  0  0  0  0
 38 41  2  0  0  0  0
 38 42  1  0  0  0  0
 39 43  2  0  0  0  0
 39 44  1  0  0  0  0
 40 45  1  0  0  0  0
 40 75  1  0  0  0  0
 40 76  1  0  0  0  0
 41 43  1  0  0  0  0
 41 77  1  0  0  0  0
 42 44  2  0  0  0  0
 42 78  1  0  0  0  0
 43 79  1  0  0  0  0
 44 80  1  0  0  0  0
 45 81  1  0  0  0  0
 45 82  1  0  0  0  0
 45 83  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-25, 278👍, 0💬