4-(2,3-dichlorophenyl)-2-(methylsulfanyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
4-(2,3-dichlorophenyl)-2-(methylsulfanyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
4-(2,3-dichlorophenyl)-2-(methylsulfanyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 4552-4028 |
| Compound Name: | 4-(2,3-dichlorophenyl)-2-(methylsulfanyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 365.28 |
| Molecular Formula: | C17 H14 Cl2 N2 O S |
| Smiles: | CSC1=C(C#N)C(C2=C(CCCC2=O)N1)c1cccc(c1[Cl])[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4669 |
| logD: | 1.4296 |
| logSw: | -4.4176 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.669 |
| InChI Key: | CAUXBTQLIDSYRZ-CQSZACIVSA-N |