Molecule FYI-1001485

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A

Molecule Summary:

ID: FYI-1001485
SMILES: FC(F)(F)CNC(=O)C1=CC(=C(F)C=C1C)N2C(C)=NC(OC(F)(F)C(F)C(F)(F)F)=N2

Received at FYIcenter.com on: 2022-08-17

Molecule ID: FYI-1001485 Edit

Molecule Structure SMILES String: FC(F)(F)CNC(=O)C1=CC(=C(F)C=C1C)N2C(C)=NC(OC(F)(F)C(F)C(F)(F)F)=N2

Download SDF Download SVG Structure in 2D SDF:

FYI-1001485
FYIcenter.com

 32 33  0  0  0  0  0  0  0  0999 V2000
   16.7125    3.3124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.0125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2249    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.3125    0.8876    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.8000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5876    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3751    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3751    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1627    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9503    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7378    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7378    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5254    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.9503    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1627    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3751    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5254    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3790    4.1924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4194    5.1291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0097    4.4835    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3097    3.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9173    3.1246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3479    1.8457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4941    0.4533    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.6268    1.2762    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9555    1.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3861    0.4204    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    2.8319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2652    3.6548    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.3097    3.9646    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0091    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.2464    2.2306    0.0000 N   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  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
 15 14  2  0  0  0  0
 15  9  1  0  0  0  0
 16 15  1  0  0  0  0
 17 11  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 18  2  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 23  1  0  0  0  0
 27 26  1  0  0  0  0
 28 26  1  0  0  0  0
 29 28  1  0  0  0  0
 30 28  1  0  0  0  0
 31 28  1  0  0  0  0
 32 21  2  0  0  0  0
 32 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001485-3D
FYIcenter.com

 44 45  0  0  1  0  0  0  0  0999 V2000
    3.2449    4.7934    0.2105 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3356    4.2256    1.0364 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6148    5.2386    1.5797 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.4908    3.4886    0.2874 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9965    3.3976    2.1498 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4627    3.3341    2.1269 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1140    2.3825    1.3658 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5049    1.5393    0.7211 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6141    2.4533    1.3540 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2980    2.8796    2.5097 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6972    3.0199    2.5036 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4113    2.6730    1.3593 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7500    2.6947    1.3393 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.7503    2.2039    0.2277 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3504    2.0859    0.2048 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7105    1.5262   -1.0386 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3767    3.4702    3.6553 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5175    4.2541    3.7864 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1944    5.0169    2.7093 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8348    4.3504    5.0619 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8638    3.6411    5.6852 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6977    3.4772    7.0053 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4125    4.4574    7.7530 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2694    4.1119    9.0624 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.7392    4.3518    7.4901 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.8932    5.8622    7.5393 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.5554    5.9093    7.8437 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.6618    6.8433    8.3815 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6676    6.3090    9.1006 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.2047    7.8068    7.5912 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.8482    7.4896    9.2529 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.8910    3.1912    4.8956 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6017    2.3761    2.1213 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7292    3.8203    3.1239 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9739    4.1440    2.4535 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7410    3.1094    3.4186 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3480    1.9107   -0.6309 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4452    1.4064   -1.8441 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9302    2.1934   -1.4145 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2952    0.5336   -0.8353 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6388    5.0351    1.7693 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1938    4.6110    2.5290 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3071    6.0600    3.0243 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9654    6.1700    6.4945 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
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 33  1  0  0  0  0
  5 34  1  0  0  0  0
  6  7  1  0  0  0  0
  6 35  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 15  1  0  0  0  0
 10 11  1  0  0  0  0
 10 36  1  0  0  0  0
 11 12  2  0  0  0  0
 11 17  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 37  1  0  0  0  0
 15 16  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
 17 18  1  0  0  0  0
 17 32  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 41  1  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 32  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 44  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
M  END
$$$$

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2022-10-01, 425👍, 0💬