2-(ethylsulfanyl)-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-(ethylsulfanyl)-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-(ethylsulfanyl)-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 4552-4044 |
| Compound Name: | 2-(ethylsulfanyl)-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 324.44 |
| Molecular Formula: | C19 H20 N2 O S |
| Smiles: | CCSC1=C(C#N)C(C2=C(CCCC2=O)N1)c1ccc(C)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9553 |
| logD: | 1.2016 |
| logSw: | -3.9576 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.669 |
| InChI Key: | ZPOROAWQFUILBE-KRWDZBQOSA-N |