Molecule FYI-1001376

Home > Molecule

A

Molecule Summary:

ID: FYI-1001376
SMILES: CN(C)CCCC3(c1ccc(C(F)(F)F)cc1)OCc2c[c+2](N)ccc23

Received at FYIcenter.com on: 2022-06-16

Molecule ID: FYI-1001376 Edit

Molecule Structure SMILES String: CN(C)CCCC3(c1ccc(C(F)(F)F)cc1)OCc2c[c+2](N)ccc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1001376
FYIcenter.com

 54 56  0  0  0  0  0  0  0  0999 V2000
    1.5930    4.3728   -0.4180 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2220    4.7146   -0.0162 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1545    6.0463   -0.5088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7308    3.6948   -0.4748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4563    2.3768    0.2520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4486    1.3147   -0.2257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1741   -0.0034    0.5012 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2692   -0.4003    0.3266 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2202    0.0361    1.2299 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5440   -0.3280    1.0697 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9168   -1.1289    0.0065 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3602   -1.5255   -0.1684 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6010   -2.7225    0.5145 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.6338   -1.7017   -1.5291 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.1857   -0.5204    0.3469 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9656   -1.5664   -0.8961 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -1.2055   -0.7337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4871    0.1290    1.9063 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5799   -0.7602    2.2487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3118   -0.9622    0.9207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1198   -2.2343    0.7631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6594   -2.2460   -0.6777 C   0  4  0  0  0  0  0  0  0  0  0  0
   -5.5814   -1.1177   -0.8644 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5354   -2.1593   -1.7047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6169   -0.9522   -1.4448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0869   -1.0974   -0.0354 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2859    5.1066   -0.0063 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8460    3.3821   -0.0403 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6643    4.3761   -1.5057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1634    6.0414   -1.5988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1469    6.3035   -0.1386 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5674    6.7822   -0.1547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7472    4.0240   -0.2589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6168    3.5480   -1.5488 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5602    2.0476    0.0361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5702    2.5236    1.3261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4650    1.6438   -0.0098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3346    1.1679   -1.2997 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9289    0.6618    2.0606 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2872    0.0135    1.7751 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2568   -2.1925   -1.7266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1021   -1.5473   -1.4389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1982   -1.7096    2.6241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2380   -0.2938    2.9819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4825   -3.1029    0.9289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9497   -1.1033   -1.8036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3262   -1.1430   -0.1842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9425   -3.0729   -1.6605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7895   -0.9545   -2.1544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9159   -0.0887    0.6752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9486   -2.2390    1.4710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9699   -2.0672   -2.7001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1845   -0.0262   -1.5362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6232   -2.0761    0.0882 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 11 16  2  0  0  0  0
 16 17  1  0  0  0  0
  8 17  2  0  0  0  0
  7 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 20 26  1  0  0  0  0
  7 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  3 32  1  0  0  0  0
  4 33  1  0  0  0  0
  4 34  1  0  0  0  0
  5 35  1  0  0  0  0
  5 36  1  0  0  0  0
  6 37  1  0  0  0  0
  6 38  1  0  0  0  0
  9 39  1  0  0  0  0
 10 40  1  0  0  0  0
 16 41  1  0  0  0  0
 17 42  1  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
 21 45  1  0  0  0  0
 23 46  1  0  0  0  0
 23 47  1  0  0  0  0
 24 48  1  0  0  0  0
 25 49  1  0  0  0  0
 20 50  1  0  0  0  0
 21 51  1  0  0  0  0
 24 52  1  0  0  0  0
 25 53  1  0  0  0  0
 26 54  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001376-3D
FYIcenter.com

 49 51  0  0  1  0  0  0  0  0999 V2000
    2.5283    2.2333    0.0299 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2173    1.5655    1.2951 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7705    1.3609    1.3999 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9267    0.2806    1.4372 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4580    0.4106    1.4800 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9376    1.3190    2.6259 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4669    1.5702    2.6319 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.9312    2.2327    1.3245 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4263    3.4886    0.9550 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8395    4.1422   -0.2039 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7388    3.5278   -1.0756 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1715    4.2309   -2.3371 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6322    5.4769   -2.4738 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.5197    4.4035   -2.4076 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.8180    3.5518   -3.4630 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.2133    2.2457   -0.7558 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8240    1.6106    0.4348 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1319    0.2833    2.8237 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5226    0.1200    4.2073 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4629    1.4829    4.7844 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8516    1.9172    6.0488 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6971    3.2677    6.3837 C   0  2  0  0  0  0  0  0  0  0  0  0
    7.9513    3.7134    7.6873 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0573    4.1215    5.4788 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6435    3.6654    4.2259 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8642    2.3405    3.8741 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9933    3.1871   -0.0393 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2595    1.6205   -0.8376 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5898    2.4875   -0.0388 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2391    2.3152    1.3072 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5065    0.9521    2.3811 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3921    0.6818    0.6267 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6508   -0.4024    0.6231 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6119   -0.2006    2.3728 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8174    0.7751    0.5122 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8906   -0.5899    1.6017 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6373    0.8428    3.5692 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4094    2.2791    2.5870 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6792    3.9865    1.5669 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4448    5.1341   -0.4182 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8905    1.7311   -1.4358 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2096    0.6139    0.6473 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5320   -0.2998    4.2359 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8159   -0.5577    4.6958 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2607    1.2153    6.7675 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6708    3.1852    8.1669 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1018    4.7155    7.7507 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8651    5.1584    5.7453 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1427    4.3628    3.5673 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  3 32  1  0  0  0  0
  4  5  1  0  0  0  0
  4 33  1  0  0  0  0
  4 34  1  0  0  0  0
  5  6  1  0  0  0  0
  5 35  1  0  0  0  0
  5 36  1  0  0  0  0
  6  7  1  0  0  0  0
  6 37  1  0  0  0  0
  6 38  1  0  0  0  0
  7  8  1  0  0  0  0
  7 18  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  1  0  0  0  0
  8 17  2  0  0  0  0
  9 10  2  0  0  0  0
  9 39  1  0  0  0  0
 10 11  1  0  0  0  0
 10 40  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 16 17  1  0  0  0  0
 16 41  1  0  0  0  0
 17 42  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
 20 21  1  0  0  0  0
 20 26  2  0  0  0  0
 21 22  2  0  0  0  0
 21 45  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 46  1  0  0  0  0
 23 47  1  0  0  0  0
 24 25  2  0  0  0  0
 24 48  1  0  0  0  0
 25 26  1  0  0  0  0
 25 49  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-07-26, 2260👍, 0💬