2-amino-1-(3-chloro-4-methylphenyl)-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-1-(3-chloro-4-methylphenyl)-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-1-(3-chloro-4-methylphenyl)-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8010-0533 |
| Compound Name: | 2-amino-1-(3-chloro-4-methylphenyl)-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 435.97 |
| Molecular Formula: | C24 H22 Cl N3 O S |
| Smiles: | Cc1ccc(cc1[Cl])N1C2CCCC(C=2C(C(C#N)=C1N)c1ccc(cc1)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0411 |
| logD: | 5.0411 |
| logSw: | -5.4062 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.377 |
| InChI Key: | KGFNSKNEGZQLKB-QFIPXVFZSA-N |