4-(2-chlorophenyl)-2-(methylsulfanyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
4-(2-chlorophenyl)-2-(methylsulfanyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
4-(2-chlorophenyl)-2-(methylsulfanyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 3448-4307 |
| Compound Name: | 4-(2-chlorophenyl)-2-(methylsulfanyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 330.83 |
| Molecular Formula: | C17 H15 Cl N2 O S |
| Smiles: | CSC1=C(C#N)C(C2=C(CCCC2=O)N1)c1ccccc1[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8981 |
| logD: | 0.8608 |
| logSw: | -4.1672 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.669 |
| InChI Key: | RVTNHUQBLQKFBG-OAHLLOKOSA-N |