2-amino-4-[4-(methylsulfanyl)phenyl]-1-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-[4-(methylsulfanyl)phenyl]-1-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-[4-(methylsulfanyl)phenyl]-1-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8008-1114 |
| Compound Name: | 2-amino-4-[4-(methylsulfanyl)phenyl]-1-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 432.5 |
| Molecular Formula: | C23 H20 N4 O3 S |
| Smiles: | CSc1ccc(cc1)C1C(C#N)=C(N)N(C2CCCC(C1=2)=O)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7119 |
| logD: | 3.7119 |
| logSw: | -4.2123 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.758 |
| InChI Key: | FFYBOWNKHZBBFB-OAQYLSRUSA-N |