Molecule FYI-1001495

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A

Molecule Summary:

ID: FYI-1001495
SMILES: CO/C=N\\N=C(C1=CC=C(F)C=C1)\\[C@@H](C)N2N=C(N=C2)C(F)(F)F

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

Molecule ID: FYI-1001495 Edit

Molecule Structure SMILES String: CO/C=NN=C(C1=CC=C(F)C=C1)[C@@H](C)N2N=C(N=C2)C(F)(F)F

Download SDF Download SVG Structure in 2D SDF:

FYI-1001495
FYIcenter.com

 24 25  0  0  1  0  0  0  0  0999 V2000
   12.2751    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0625    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0625    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8501    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6377    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4253    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4253    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2128    3.5000    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
    7.4253    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4253    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.6377    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6377    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2128    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2128    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0004    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7215    6.1694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7846    5.1290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4846    3.9166    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8541    4.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    5.2753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2460    3.8830    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4216    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.5386    6.6676    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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
 13  7  1  0  0  0  0
 14  6  1  0  0  0  0
 15 14  1  0  0  0  0
 14 16  1  6  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 20 16  1  0  0  0  0
 21 18  1  0  0  0  0
 22 21  1  0  0  0  0
 23 21  1  0  0  0  0
 24 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001495-3D
FYIcenter.com

 37 38  0  0  1  0  0  0  0  0999 V2000
    1.2630    0.9081    0.9099 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5763    0.5377    0.5000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2731    1.4778   -0.1640 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5112    1.2495   -0.4149 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1464    2.2271   -1.1599 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4397    2.0587   -1.2728 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2490    0.9498   -0.6354 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7580   -0.3642   -0.5543 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4966   -1.3721    0.0780 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7511   -1.0792    0.5894 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4673   -2.0456    1.1801 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.2756    0.2019    0.4932 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5229    1.2172   -0.1082 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2156    3.0696   -2.1313 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4525    3.4859   -3.3897 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6220    4.2363   -1.3554 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9277    4.5717   -1.2775 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8942    5.6969   -0.5307 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6084    6.0615   -0.1570 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8473    5.1333   -0.6922 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1225    6.4923   -0.1321 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2881    5.9117   -0.5383 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.1192    7.7478   -0.6607 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.2258    6.6397    1.2188 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8116    0.0477    1.4156 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6442    1.1698    0.0479 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3158    1.7380    1.6186 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7079    2.3785   -0.4472 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7858   -0.6279   -0.9637 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0923   -2.3749    0.1745 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2631    0.4089    0.8936 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9575    2.2105   -0.1316 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1410    2.5870   -2.4711 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5139    3.9969   -3.1533 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2082    2.6098   -4.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0546    4.1708   -3.9989 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7692    5.0725   -0.6342 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  3  0  0  0
  3 28  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  3  0  0  0
  6  7  1  0  0  0  0
  6 14  1  0  0  0  0
  7  8  2  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  8 29  1  0  0  0  0
  9 10  2  0  0  0  0
  9 30  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 33  1  6  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 17  1  0  0  0  0
 16 20  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
 20 37  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-10-01, 1251👍, 0💬