2-amino-7,7-dimethyl-4-[5-methyl-2-(methylsulfanyl)thiophen-3-yl]-1-(3-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-7,7-dimethyl-4-[5-methyl-2-(methylsulfanyl)thiophen-3-yl]-1-(3-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-7,7-dimethyl-4-[5-methyl-2-(methylsulfanyl)thiophen-3-yl]-1-(3-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 4306-0619 |
| Compound Name: | 2-amino-7,7-dimethyl-4-[5-methyl-2-(methylsulfanyl)thiophen-3-yl]-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: | Cc1cccc(c1)N1C2CC(C)(C)CC(C=2C(C(C#N)=C1N)c1cc(C)sc1SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4686 |
| logD: | 5.4686 |
| logSw: | -5.3848 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.395 |
| InChI Key: | MSZWFWFZVFWLQL-OAQYLSRUSA-N |