Molecule FYI-1014551

A

Molecule Summary:

ID: FYI-1014551
Names:
InChIKey: DNFHWVONJMRMFR-UHFFFAOYSA-N
SMILES: O=C(Nc2cccc(C(=O)Nc1c(Br)cc(C(F)(C(F)(F)F)C(F)(F)F)cc1C(F)(F)F)c2F)c3ccccc3

Received at FYIcenter.com on: 2025-04-27

Molecule ID: FYI-1014551 Edit

Molecule Structure InChIKey: DNFHWVONJMRMFR-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(Nc2cccc(C(=O)Nc1c(Br)cc(C(F)(C(F)(F)F)C(F)(F)F)cc1C(F)(F)F)c2F)c3ccccc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1014551
FYIcenter.com

 40 42  0  0  0  0  0  0  0  0999 V2000
   12.0717   13.7525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8645   14.4494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6574   13.7525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6574   12.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8645   11.6616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0717   12.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4503   11.6616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4503   10.2677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2430   12.3586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8287    9.5707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9041    7.2930    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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
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 37 21  1  0  0  0  0
 38 37  1  0  0  0  0
 39 37  1  0  0  0  0
 40 37  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014551-3D
FYIcenter.com

 52 54  0     0  0  0  0  0  0999 V2000
    2.0382    3.3253    1.7125 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.4644    0.6208    0.9045 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.1502    0.6473   -1.7852 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.5621   -1.4546   -1.7987 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.5270   -0.8779   -1.0647 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.1810   -2.6573    0.6900 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.5371   -1.4296    2.4502 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.1935   -1.9508    1.1277 F   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0616    0.1194   -0.1669 F   0  0  0  0  0  0  0  0  0  0  0  0
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 35 36  2  0  0  0  0
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 39 51  1  0  0  0  0
 40 52  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-05-12, 457👍, 0💬