2-{[4-(4-chlorophenyl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
Chemical Structure Depiction of
2-{[4-(4-chlorophenyl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
2-{[4-(4-chlorophenyl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | 8010-4362 |
| Compound Name: | 2-{[4-(4-chlorophenyl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide |
| Molecular Weight: | 494.01 |
| Molecular Formula: | C26 H24 Cl N3 O3 S |
| Smiles: | CCOc1ccc(cc1)NC(CSC1=C(C#N)C(C2=C(CCCC2=O)N1)c1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9346 |
| logD: | 2.1962 |
| logSw: | -5.2091 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.671 |
| InChI Key: | IPWIOQBCGTZWOC-XMMPIXPASA-N |