4-(3-fluorophenyl)-5-oxo-2-(1H-pyrrol-1-yl)-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
4-(3-fluorophenyl)-5-oxo-2-(1H-pyrrol-1-yl)-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
4-(3-fluorophenyl)-5-oxo-2-(1H-pyrrol-1-yl)-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-2460 |
| Compound Name: | 4-(3-fluorophenyl)-5-oxo-2-(1H-pyrrol-1-yl)-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 477.46 |
| Molecular Formula: | C27 H19 F4 N3 O |
| Smiles: | C1CC2=C(C(C(C#N)=C(N2c2cccc(c2)C(F)(F)F)n2cccc2)c2cccc(c2)F)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6073 |
| logD: | 5.6073 |
| logSw: | -5.928 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 36.554 |
| InChI Key: | FVSDXSVWGZHBGP-XMMPIXPASA-N |