2-amino-4-[2-(ethylsulfanyl)thiophen-3-yl]-7,7-dimethyl-1-(3-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-[2-(ethylsulfanyl)thiophen-3-yl]-7,7-dimethyl-1-(3-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-[2-(ethylsulfanyl)thiophen-3-yl]-7,7-dimethyl-1-(3-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 4306-0621 |
| Compound Name: | 2-amino-4-[2-(ethylsulfanyl)thiophen-3-yl]-7,7-dimethyl-1-(3-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 449.64 |
| Molecular Formula: | C25 H27 N3 O S2 |
| Smiles: | CCSc1c(ccs1)C1C(C#N)=C(N)N(C2CC(C)(C)CC(C1=2)=O)c1cccc(C)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2688 |
| logD: | 5.2688 |
| logSw: | -5.1811 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.395 |
| InChI Key: | YRMDRRJVVJDABN-OAQYLSRUSA-N |