2-(benzylsulfanyl)-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-(benzylsulfanyl)-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-(benzylsulfanyl)-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 4296-0201 |
| Compound Name: | 2-(benzylsulfanyl)-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 434.99 |
| Molecular Formula: | C25 H23 Cl N2 O S |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N2)SCc2ccccc2)c2ccc(cc2)[Cl])C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4957 |
| logD: | 2.5896 |
| logSw: | -6.3047 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.398 |
| InChI Key: | RFKWXCHJPKUYSK-JOCHJYFZSA-N |