Molecule FYI-1001486

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A

Molecule Summary:

ID: FYI-1001486
SMILES: FC(F)(F)CNC(=O)C1=CC(=C(F)C=C1C)C2N(C)N=C(C(F)(F)F)N=2

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

Molecule ID: FYI-1001486 Edit

Molecule Structure SMILES String: FC(F)(F)CNC(=O)C1=CC(=C(F)C=C1C)C2N(C)N=C(C(F)(F)F)N=2

Download SDF Download SVG Structure in 2D SDF:

FYI-1001486
FYIcenter.com

 26 27  0  0  0  0  0  0  0  0999 V2000
   14.1875    3.3124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.4875    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6999    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.7875    0.8876    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.2751    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0627    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8502    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8502    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6378    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4254    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2128    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2128    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0004    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.4254    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6378    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8502    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0004    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8541    4.1923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8945    5.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4846    4.4834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7846    3.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    3.1247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5387    1.7324    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9784    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2460    4.5170    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7215    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  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 22  1  0  0  0  0
 25 22  1  0  0  0  0
 26 21  1  0  0  0  0
 26 17  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001486-3D
FYIcenter.com

 37 38  0  0  0  0  0  0  0  0999 V2000
    3.3322    0.0220   -2.2802 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3437   -0.5615   -1.5625 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6106    0.4411   -1.0180 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.5439   -1.2296   -2.4185 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8955   -1.4700   -0.4561 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3572   -1.5648   -0.3891 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373   -2.5260   -1.1009 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4617   -3.3376   -1.8171 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5342   -2.5093   -1.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1957   -2.9719   -2.1983 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5920   -2.9396   -2.3220 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3237   -2.5280   -1.2045 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6643   -2.4926   -1.2298 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.6929   -2.1205   -0.0282 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2922   -2.0988    0.0784 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7061   -1.6474    1.3875 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2925   -3.3220   -3.5573 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8962   -3.0894   -4.8563 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7326   -2.4266   -5.3874 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8222   -3.5051   -5.7435 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8026   -3.9675   -4.9485 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1320   -4.4888   -5.4572 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2198   -4.4920   -6.8190 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.1823   -3.7395   -5.0158 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.3750   -5.7687   -5.0595 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.4890   -3.8823   -3.6034 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4785   -2.4765   -0.5664 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5744   -1.0917    0.5202 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8588   -0.7379   -0.0928 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5879   -3.3643   -3.0126 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3227   -1.8222    0.8076 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4508   -1.6764    2.1891 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8862   -2.3034    1.6981 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3564   -0.6134    1.3125 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1410   -1.9638   -4.5989 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1361   -3.1681   -5.9246 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0646   -1.6420   -6.0717 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 27  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
  6 29  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 30  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 31  1  0  0  0  0
 15 16  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 18  1  0  0  0  0
 17 26  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 35  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 26  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-10-01, 1773👍, 0💬