2-amino-1-(dimethylamino)-4-[4-(methylsulfanyl)phenyl]-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-1-(dimethylamino)-4-[4-(methylsulfanyl)phenyl]-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-1-(dimethylamino)-4-[4-(methylsulfanyl)phenyl]-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 4404-0206 |
| Compound Name: | 2-amino-1-(dimethylamino)-4-[4-(methylsulfanyl)phenyl]-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 430.57 |
| Molecular Formula: | C25 H26 N4 O S |
| Smiles: | CN(C)N1C2CC(CC(C=2C(C(C#N)=C1N)c1ccc(cc1)SC)=O)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8974 |
| logD: | 3.8974 |
| logSw: | -4.1655 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.64 |
| InChI Key: | HHDVXRBPLUXWRQ-UHFFFAOYSA-N |