N-(4-chlorophenyl)-2-{[3-cyano-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-2-{[3-cyano-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide
N-(4-chlorophenyl)-2-{[3-cyano-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 4296-0435 |
| Compound Name: | N-(4-chlorophenyl)-2-{[3-cyano-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 455.98 |
| Molecular Formula: | C22 H18 Cl N3 O2 S2 |
| Smiles: | C1CC2=C(C(C(C#N)=C(N2)SCC(Nc2ccc(cc2)[Cl])=O)c2cccs2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2709 |
| logD: | 1.3803 |
| logSw: | -4.6593 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.565 |
| InChI Key: | SGQIXNAZVOCLBT-HXUWFJFHSA-N |