5-oxo-4-(pyridin-3-yl)-2-(1H-pyrrol-1-yl)-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
5-oxo-4-(pyridin-3-yl)-2-(1H-pyrrol-1-yl)-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
5-oxo-4-(pyridin-3-yl)-2-(1H-pyrrol-1-yl)-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-1453 |
| Compound Name: | 5-oxo-4-(pyridin-3-yl)-2-(1H-pyrrol-1-yl)-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 460.46 |
| Molecular Formula: | C26 H19 F3 N4 O |
| Smiles: | C1CC2=C(C(C(C#N)=C(N2c2ccccc2C(F)(F)F)n2cccc2)c2cccnc2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4976 |
| logD: | 4.4975 |
| logSw: | -4.3978 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 45.771 |
| InChI Key: | PONLEEQVYKSFSD-QHCPKHFHSA-N |