2-amino-1-(3-chloro-2-methylphenyl)-4-[2-(ethylsulfanyl)thiophen-3-yl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-1-(3-chloro-2-methylphenyl)-4-[2-(ethylsulfanyl)thiophen-3-yl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-1-(3-chloro-2-methylphenyl)-4-[2-(ethylsulfanyl)thiophen-3-yl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 4306-0471 |
| Compound Name: | 2-amino-1-(3-chloro-2-methylphenyl)-4-[2-(ethylsulfanyl)thiophen-3-yl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 456.03 |
| Molecular Formula: | C23 H22 Cl N3 O S2 |
| Smiles: | CCSc1c(ccs1)C1C(C#N)=C(N)N(C2CCCC(C1=2)=O)c1cccc(c1C)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2542 |
| logD: | 5.2542 |
| logSw: | -5.6164 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.094 |
| InChI Key: | RKLDHDWPKQBCMJ-FQEVSTJZSA-N |