2-amino-1-(3,4-dichlorophenyl)-4-[2-(ethylsulfanyl)thiophen-3-yl]-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-1-(3,4-dichlorophenyl)-4-[2-(ethylsulfanyl)thiophen-3-yl]-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-1-(3,4-dichlorophenyl)-4-[2-(ethylsulfanyl)thiophen-3-yl]-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 4306-0153 |
| Compound Name: | 2-amino-1-(3,4-dichlorophenyl)-4-[2-(ethylsulfanyl)thiophen-3-yl]-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 504.5 |
| Molecular Formula: | C24 H23 Cl2 N3 O S2 |
| Smiles: | CCSc1c(ccs1)C1C(C#N)=C(N)N(C2CC(C)(C)CC(C1=2)=O)c1ccc(c(c1)[Cl])[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1093 |
| logD: | 6.1093 |
| logSw: | -6.1425 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.395 |
| InChI Key: | KVWXPJBJWMVVCA-FQEVSTJZSA-N |