2-{[(4-chlorophenyl)methyl]sulfanyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-{[(4-chlorophenyl)methyl]sulfanyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile
2-{[(4-chlorophenyl)methyl]sulfanyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 4552-4182 |
| Compound Name: | 2-{[(4-chlorophenyl)methyl]sulfanyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile |
| Molecular Weight: | 356.87 |
| Molecular Formula: | C19 H17 Cl N2 O S |
| Smiles: | CC1(C)CC(c2cc(C#N)c(nc2C1)SCc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4927 |
| logD: | 4.4927 |
| logSw: | -4.7136 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.44 |
| InChI Key: | CWKHZTMQOPDEGL-UHFFFAOYSA-N |