2-{[3-cyano-4-(2,3-dichlorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
2-{[3-cyano-4-(2,3-dichlorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide
2-{[3-cyano-4-(2,3-dichlorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 4552-4145 |
| Compound Name: | 2-{[3-cyano-4-(2,3-dichlorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 408.3 |
| Molecular Formula: | C18 H15 Cl2 N3 O2 S |
| Smiles: | C1CC2=C(C(C(C#N)=C(N2)SCC(N)=O)c2cccc(c2[Cl])[Cl])C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1902 |
| logD: | 0.6147 |
| logSw: | -3.7468 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 74.057 |
| InChI Key: | XCBGKLSSZSWEPH-OAHLLOKOSA-N |