2-(methylsulfanyl)-5-oxo-4-[4-(propan-2-yl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-(methylsulfanyl)-5-oxo-4-[4-(propan-2-yl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-(methylsulfanyl)-5-oxo-4-[4-(propan-2-yl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 4552-4037 |
| Compound Name: | 2-(methylsulfanyl)-5-oxo-4-[4-(propan-2-yl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 338.47 |
| Molecular Formula: | C20 H22 N2 O S |
| Smiles: | CC(C)c1ccc(cc1)C1C(C#N)=C(NC2CCCC(C1=2)=O)SC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4247 |
| logD: | 1.2243 |
| logSw: | -4.297 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.669 |
| InChI Key: | KSULAWQEAGVPNG-SFHVURJKSA-N |