Molecule FYI-1010161

A

Molecule Summary:

ID: FYI-1010161
Names:
InChIKey: RSLFQCNAOMQAIH-WJDWOHSUSA-N
SMILES: O=C(O)c4cc(n3nc(C(F)(F)F)c(=Cc2ccc(c1ccccc1)o2)c3=O)ccc4Cl

Received at FYIcenter.com on: 2024-05-31

Molecule ID: FYI-1010161 Edit

Molecule Structure InChIKey: RSLFQCNAOMQAIH-WJDWOHSUSA-N

Molecule Structure SMILES String: O=C(O)c4cc(n3nc(C(F)(F)F)c(=Cc2ccc(c1ccccc1)o2)c3=O)ccc4Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1010161
FYIcenter.com

 32 35  0  0  0  0  0  0  0  0999 V2000
    2.3878    0.3529    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4106    0.4565    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5142    2.4338    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4914    2.3302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8608    2.0391    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5608    3.2515    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9531    3.3978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7760    2.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1685    2.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9912    1.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4219    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3837    1.4252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7378    3.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1301    3.8369    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    3.9151    5.6613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
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 13 11  2  0  0  0  0
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 15 14  1  0  0  0  0
 16 14  1  0  0  0  0
 17 16  2  0  0  0  0
 17  8  1  0  0  0  0
 18  7  1  0  0  0  0
 19 18  1  0  0  0  0
 19  5  1  0  0  0  0
 20 19  2  0  0  0  0
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 23 22  1  0  0  0  0
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 31 24  1  0  0  0  0
 31 21  1  0  0  0  0
 32 18  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010161-3D
FYIcenter.com

 44 47  0     0  0  0  0  0  0999 V2000
    5.3749   -3.7287    0.6037 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0982    5.0607   -0.4883 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0764    5.1398    0.4232 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.8747    4.7578   -1.7142 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4951    0.7060   -0.0713 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3039   -0.0460    0.4639 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3821   -4.1728    0.3476 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9202   -4.5636   -1.2796 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8190    0.9647    0.0797 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2964    2.2443   -0.1950 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0187    2.3034    0.0120 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2603    3.0361   -0.2361 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4222    0.8997    0.2251 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6449   -0.1421    0.1986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2268    2.7714    0.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4450    1.9778    0.3027 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1751   -1.4149   -0.1449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7316    0.2914    0.3107 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3288    4.5003   -0.5043 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9568    0.0026    0.6635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5515    2.4348    0.9016 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0066   -2.5284   -0.0249 C   0  0  0  0  0  0  0  0  0  0  0  0
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 30 41  1  0  0  0  0
 31 32  1  0  0  0  0
 31 42  1  0  0  0  0
 32 43  1  0  0  0  0
M  END
$$$$

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