Molecule FYI-1001498

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A

Molecule Summary:

ID: FYI-1001498
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-1001498 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-1001498
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-1001498-3D
FYIcenter.com

 37 38  0  0  1  0  0  0  0  0999 V2000
    1.0109    0.1694   -0.1517 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4145    0.2076    0.1043 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1221    1.1470   -0.5541 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3760    1.2704   -0.2958 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0262    2.1976   -1.0969 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3259    2.0475   -1.1652 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1307    0.9357   -0.5242 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6371   -0.3791   -0.4752 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3845   -1.4068    0.1080 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6498   -1.1347    0.6059 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3769   -2.1220    1.1433 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.1737    0.1490    0.5447 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4130    1.1847   -0.0092 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1148    3.0761   -1.9939 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3672    3.5295   -3.2475 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5238    4.2245   -1.1893 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8281    4.5627   -1.1131 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7953    5.6733   -0.3427 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5113    6.0253    0.0456 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7499    5.1047   -0.5017 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0238    6.4652    0.0650 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1904    5.8923   -0.3517 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.0189    7.7282   -0.4463 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.1312    6.5942    1.4174 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.6041   -0.7210    0.3377 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8017    0.1009   -1.2234 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5350    1.0521    0.2827 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5532    1.7276   -1.2975 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6608   -0.6275   -0.8829 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9841   -2.4137    0.1725 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1700    0.3408    0.9318 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8532    2.1766   -0.0154 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0404    2.5954   -2.3375 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4276    4.0383   -3.0055 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1282    2.6719   -3.8850 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9769    4.2286   -3.8315 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6729    5.0406   -0.4411 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, 1181👍, 0💬