Molecule FYI-1001496

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A

Molecule Summary:

ID: FYI-1001496
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-1001496 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-1001496
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-1001496-3D
FYIcenter.com

 37 38  0  0  1  0  0  0  0  0999 V2000
    1.1458   -0.2735    0.0603 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5619   -0.3228   -0.0973 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2618   -0.8112    0.9437 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5345   -0.9390    0.8225 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1741   -1.3701    1.9744 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4719   -1.1867    1.9694 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2541   -0.5003    0.8700 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7372    0.6414    0.2338 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3975    1.2174   -0.8550 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6073    0.6879   -1.2778 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2373    1.2297   -2.3275 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.1712   -0.3995   -0.6254 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4947   -0.9961    0.4443 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2658   -1.7298    3.1672 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4879   -1.6547    4.4822 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7256   -3.0929    2.9139 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0468   -3.3767    2.9288 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0658   -4.6787    2.5655 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7939   -5.2098    2.3775 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9900   -4.1960    2.6006 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3295   -5.4812    2.3281 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4664   -4.7651    2.5605 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.4046   -6.5849    3.1230 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.4199   -5.9225    1.0414 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.7305    0.2654   -0.7948 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8684    0.2578    0.9763 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7426   -1.2903    0.0635 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6707   -1.0467    1.8423 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7936    1.0778    0.5523 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9634    2.0615   -1.3813 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1246   -0.7935   -0.9644 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9564   -1.8647    0.8981 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1677   -1.1136    3.2857 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5654   -2.2450    4.4488 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2108   -0.6190    4.7062 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0882   -2.0356    5.3156 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9097   -4.1993    2.5456 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  1  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, 500👍, 0💬