Molecule FYI-1011652

A

Molecule Summary:

ID: FYI-1011652
Names:
InChIKey: QWUFMTBYPAMVOW-UHFFFAOYSA-N
SMILES: O=c4cc(c1ccccc1)c3ccc(Sc2cc(F)cc(C(O)(C(F)(F)F)C(F)(F)F)c2)cc3o4

Received at FYIcenter.com on: 2024-08-10

Molecule ID: FYI-1011652 Edit

Molecule Structure InChIKey: QWUFMTBYPAMVOW-UHFFFAOYSA-N

Molecule Structure SMILES String: O=c4cc(c1ccccc1)c3ccc(Sc2cc(F)cc(C(O)(C(F)(F)F)C(F)(F)F)c2)cc3o4

Download SDF Download SVG Structure in 2D SDF:

FYI-1011652
FYIcenter.com

 35 38  0  0  0  0  0  0  0  0999 V2000
   12.1112    2.0977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9001    2.7969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9001    4.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1112    4.8947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1112    6.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3223    6.9924    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.9001    6.9924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6890    6.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4778    6.9924    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2667    6.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0557    6.9924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6890    4.8947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4778    1.3985    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.9898    3.3088    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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 35 32  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011652-3D
FYIcenter.com

 48 51  0     0  0  0  0  0  0999 V2000
    1.1428   -2.0520   -2.5979 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0945    1.0240    2.3177 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.4019    1.8406    0.4170 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.6295    3.0543    1.7392 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3276    2.2928   -1.5156 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4031    1.8534   -1.0231 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.3713    3.4760   -0.0082 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.9574   -3.4658    0.5233 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.7396    1.2884    1.6180 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7210    1.2422    0.5882 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5409   -0.1452    0.0716 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4498    1.7982    1.2673 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2134    2.2268   -0.4957 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5636   -0.4115   -0.8876 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3494   -1.1770    0.5484 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3951   -1.7094   -1.3700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6747   -0.7662   -0.3842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8855   -0.3922    0.3626 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1811   -2.4749    0.0659 C   0  0  0  0  0  0  0  0  0  0  0  0
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 35 48  1  0  0  0  0
M  END
$$$$

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2024-08-14, 1297👍, 0💬