2-amino-1-(3-chloro-2-methylphenyl)-7,7-dimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-1-(3-chloro-2-methylphenyl)-7,7-dimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-1-(3-chloro-2-methylphenyl)-7,7-dimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8007-6832 |
| Compound Name: | 2-amino-1-(3-chloro-2-methylphenyl)-7,7-dimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 464.03 |
| Molecular Formula: | C26 H26 Cl N3 O S |
| Smiles: | Cc1c(cccc1[Cl])N1C2CC(C)(C)CC(C=2C(C(C#N)=C1N)c1ccc(cc1)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5201 |
| logD: | 5.5201 |
| logSw: | -6.0229 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.076 |
| InChI Key: | BYYIQPMXRIQKON-QHCPKHFHSA-N |