Molecule FYI-1003208

A

Molecule Summary:

ID: FYI-1003208
Names:
InChIKey: DVCXKVDQADQLGF-UHFFFAOYSA-N
SMILES: Cc1cc(F)ccc1NC(=O)c2c(C)onc2c3cccc(Br)c3

Received at FYIcenter.com on: 2023-05-24

Molecule ID: FYI-1003208 Edit

Molecule Structure InChIKey: DVCXKVDQADQLGF-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1cc(F)ccc1NC(=O)c2c(C)onc2c3cccc(Br)c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1003208
FYIcenter.com

 24 26  0  0  0  0  0  0  0  0999 V2000
    8.8447    0.8612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5535    2.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4903    3.2710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7903    4.4835    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4209    4.1924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3806    5.1291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6717    6.4985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6312    7.4353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2998    7.0027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0087    5.6332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6772    5.2006    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.0491    4.6965    0.0000 C   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  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  6  2  2  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  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
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 16 15  2  0  0  0  0
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 17 16  1  0  0  0  0
 18  5  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  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  2  0  0  0  0
 24 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003208-3D
FYIcenter.com

 38 40  0     0  0  0  0  0  0999 V2000
   -0.1942   -3.5775    2.5706 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.9946    0.3502    0.0167 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9406    1.9838   -0.2744 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0252    2.6372    0.9599 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4640    0.6693   -0.2405 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8481    0.5984   -0.3309 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7916    1.4947    0.0625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5552    0.3298   -0.1268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7097    2.5061   -0.0397 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8763    0.5752   -0.1845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0902   -1.0288   -0.1190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3895    1.6518    0.3071 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5497   -0.4672   -0.8215 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5942    1.5418    0.5199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4761   -1.5498    1.0201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2534   -1.8279   -1.2507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6314    3.9706    0.0495 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9409   -0.5432   -0.7537 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8075   -1.5167   -1.5834 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9854    1.4657    0.5878 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6587    0.4232   -0.0490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0254   -2.8699    1.0275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8023   -3.1479   -1.2433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1886   -3.6690   -0.1042 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0218   -0.0483   -0.8034 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1512    2.3753    1.0446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3525   -0.9316    1.9073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7254   -1.4386   -2.1497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4568    4.2824    1.0838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5578    4.4424   -0.2935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8138    4.3543   -0.5688 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4818   -1.3488   -1.2429 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2084   -2.1231   -0.9011 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1651   -1.0689   -2.3485 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4911   -2.1960   -2.1048 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5459    2.2165    1.1372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9276   -3.7695   -2.1251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8422   -4.6992   -0.1154 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  2 21  1  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  4 12  2  0  0  0  0
  5 10  1  0  0  0  0
  5 12  1  0  0  0  0
  5 25  1  0  0  0  0
  6  8  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 12  1  0  0  0  0
  8 11  1  0  0  0  0
  9 17  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 13 18  1  0  0  0  0
 13 19  1  0  0  0  0
 14 20  2  0  0  0  0
 14 26  1  0  0  0  0
 15 22  1  0  0  0  0
 15 27  1  0  0  0  0
 16 23  2  0  0  0  0
 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
 18 21  2  0  0  0  0
 18 32  1  0  0  0  0
 19 33  1  0  0  0  0
 19 34  1  0  0  0  0
 19 35  1  0  0  0  0
 20 21  1  0  0  0  0
 20 36  1  0  0  0  0
 22 24  2  0  0  0  0
 23 24  1  0  0  0  0
 23 37  1  0  0  0  0
 24 38  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-06-12, 527👍, 0💬