Molecule FYI-1014379

A

Molecule Summary:

ID: FYI-1014379
Names:
InChIKey: MMGYTZXQNAJWRG-UHFFFAOYSA-N
SMILES: OC(COCc1ccco1)CN(Cc2ccccc2)Cc3ccc(F)cc3F

Received at FYIcenter.com on: 2025-04-09

Molecule ID: FYI-1014379 Edit

Molecule Structure InChIKey: MMGYTZXQNAJWRG-UHFFFAOYSA-N

Molecule Structure SMILES String: OC(COCc1ccco1)CN(Cc2ccccc2)Cc3ccc(F)cc3F

Download SDF Download SVG Structure in 2D SDF:

FYI-1014379
FYIcenter.com

 28 30  0  0  0  0  0  0  0  0999 V2000
    6.0621    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0582    2.8077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4277    2.5166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1277    3.7290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1908    4.7694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   10.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 F   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  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 10  6  1  0  0  0  0
 11  2  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  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  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 19 14  1  0  0  0  0
 20 12  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 24  1  0  0  0  0
 27 26  2  0  0  0  0
 27 21  1  0  0  0  0
 28 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014379-3D
FYIcenter.com

 51 53  0     1  0  0  0  0  0999 V2000
   -0.8477   -1.2685    1.0169 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.4243   -3.0710    0.0730 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917    3.8108   -1.5372 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3902    1.9816    0.2282 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6824   -0.1467    1.5423 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5977    0.6004   -1.0930 N   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7603    1.6162   -1.7164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5875    2.8469   -0.8231 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3700   -0.7078   -1.7108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0125    0.9663   -1.1891 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1083    2.5392    0.5008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0898   -1.3389   -1.2317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8408    0.2852   -0.1323 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1028   -1.5875    0.1273 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9049   -1.6755   -2.1501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4143   -0.9598   -0.3903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0346    0.8994    1.1049 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0940    1.6886    1.4263 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2898   -2.1725    0.5679 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0919   -2.2606   -1.7095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1819   -1.5907    0.5888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8021    0.2687    2.0841 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2843   -2.5091   -0.3504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3757   -0.9764    1.8260 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4322    1.1059    1.0783 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5072    1.5798    0.3626 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4802    0.5522    0.3883 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9306   -0.4762    1.1182 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2430    1.2339   -1.9445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1629    1.9155   -2.6947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5468    3.3272   -0.6073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3904   -0.6319   -2.8068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1398   -1.4396   -1.4569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1676    2.0446   -1.0632 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2459    3.4704    1.0632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4846    1.8436    1.1051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2935    4.0363   -2.3493 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7696   -1.4867   -3.2116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3059   -1.4412   -1.3581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5906    1.8679    1.3196 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2436    2.6065    2.0063 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5192    0.9775    2.0307 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4399   -2.3651    1.6259 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8670   -2.5220   -2.4237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6351   -2.5565    0.3853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9527    0.7467    3.0476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9747   -1.4667    2.5879 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5819    2.5444   -0.1186 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4595    0.5601   -0.0677 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2805   -1.4553    1.4109 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2 23  1  0  0  0  0
  3  8  1  0  0  0  0
  3 38  1  0  0  0  0
  4 11  1  0  0  0  0
  4 18  1  0  0  0  0
  5 25  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 11  1  0  0  0  0
  8 31  1  0  0  0  0
  9 12  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 13  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  2  0  0  0  0
 15 39  1  0  0  0  0
 16 21  1  0  0  0  0
 16 40  1  0  0  0  0
 17 22  2  0  0  0  0
 17 41  1  0  0  0  0
 18 25  1  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
 19 23  2  0  0  0  0
 19 44  1  0  0  0  0
 20 23  1  0  0  0  0
 20 45  1  0  0  0  0
 21 24  2  0  0  0  0
 21 46  1  0  0  0  0
 22 24  1  0  0  0  0
 22 47  1  0  0  0  0
 24 48  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 26 49  1  0  0  0  0
 27 28  2  0  0  0  0
 27 50  1  0  0  0  0
 28 51  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-04-26, 1003👍, 0💬