Molecule FYI-1001500

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Molecule Summary:

ID: FYI-1001500
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-1001500 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-1001500
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-1001500-3D
FYIcenter.com

 37 38  0  0  1  0  0  0  0  0999 V2000
    1.0127   -0.4245   -0.0960 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4288   -0.3950   -0.2721 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1298   -1.3713    0.3337 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3998   -1.4233    0.1393 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0501   -2.4014    0.8779 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3385   -2.2065    1.0017 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0949   -0.9972    0.4920 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5345    0.2877    0.6014 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1745    1.3997    0.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4019    1.2390   -0.5778 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0140    2.3000   -1.1204 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.0055   -0.0092   -0.6454 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3510   -1.1264   -0.1153 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1540   -3.2978    1.7176 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3838   -3.9563    2.8613 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6377   -4.2910    0.7651 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9644   -4.4327    0.5455 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9954   -5.3260   -0.4659 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7375   -5.7942   -0.8148 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9234   -5.1302   -0.0295 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2597   -5.7391   -1.1962 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3872   -5.1956   -0.6579 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.4486   -7.0888   -1.1954 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.2406   -5.3496   -2.5042 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.6061    0.5137   -0.4801 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7442   -0.5139    0.9602 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5925   -1.2504   -0.6750 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5450   -2.0453    0.9790 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5760    0.4378    1.0903 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7085    2.3789    0.0783 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9734   -0.1124   -1.1262 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8439   -2.0846   -0.2239 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0440   -2.8254    2.1572 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4861   -4.4786    2.5073 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0617   -3.2077    3.5934 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0056   -4.6943    3.3790 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8435   -5.2014   -0.0116 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, 1772👍, 0💬