4-(2H-1,3-benzodioxol-5-yl)-5-oxo-2-(1H-pyrrol-1-yl)-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
4-(2H-1,3-benzodioxol-5-yl)-5-oxo-2-(1H-pyrrol-1-yl)-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
4-(2H-1,3-benzodioxol-5-yl)-5-oxo-2-(1H-pyrrol-1-yl)-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-0338 |
| Compound Name: | 4-(2H-1,3-benzodioxol-5-yl)-5-oxo-2-(1H-pyrrol-1-yl)-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 503.48 |
| Molecular Formula: | C28 H20 F3 N3 O3 |
| Smiles: | C1CC2=C(C(C(C#N)=C(N2c2ccccc2C(F)(F)F)n2cccc2)c2ccc3c(c2)OCO3)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5302 |
| logD: | 5.5302 |
| logSw: | -5.8154 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 53.368 |
| InChI Key: | UMSWORPDVOSAKL-VWLOTQADSA-N |