2-(ethylsulfanyl)-5-oxo-4-[4-(propan-2-yl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-(ethylsulfanyl)-5-oxo-4-[4-(propan-2-yl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-(ethylsulfanyl)-5-oxo-4-[4-(propan-2-yl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 4552-4034 |
| Compound Name: | 2-(ethylsulfanyl)-5-oxo-4-[4-(propan-2-yl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 352.5 |
| Molecular Formula: | C21 H24 N2 O S |
| Smiles: | CCSC1=C(C#N)C(C2=C(CCCC2=O)N1)c1ccc(cc1)C(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8701 |
| logD: | 2.1164 |
| logSw: | -4.5411 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.669 |
| InChI Key: | DPVFFIJJKJDOHU-IBGZPJMESA-N |