4-(2H-1,3-benzodioxol-5-yl)-7,7-dimethyl-5-oxo-2-(1H-pyrrol-1-yl)-1-[4-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
4-(2H-1,3-benzodioxol-5-yl)-7,7-dimethyl-5-oxo-2-(1H-pyrrol-1-yl)-1-[4-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
4-(2H-1,3-benzodioxol-5-yl)-7,7-dimethyl-5-oxo-2-(1H-pyrrol-1-yl)-1-[4-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-0335 |
| Compound Name: | 4-(2H-1,3-benzodioxol-5-yl)-7,7-dimethyl-5-oxo-2-(1H-pyrrol-1-yl)-1-[4-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 531.53 |
| Molecular Formula: | C30 H24 F3 N3 O3 |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N2c2ccc(cc2)C(F)(F)F)n2cccc2)c2ccc3c(c2)OCO3)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1232 |
| logD: | 6.1232 |
| logSw: | -5.6007 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 53.669 |
| InChI Key: | JQNBCUMOQBEVRF-SANMLTNESA-N |