2-{[3-cyano-4-(2-ethoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(2-ethylphenyl)acetamide
Chemical Structure Depiction of
2-{[3-cyano-4-(2-ethoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(2-ethylphenyl)acetamide
2-{[3-cyano-4-(2-ethoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(2-ethylphenyl)acetamide
Compound characteristics
| Compound ID: | 4296-0443 |
| Compound Name: | 2-{[3-cyano-4-(2-ethoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(2-ethylphenyl)acetamide |
| Molecular Weight: | 487.62 |
| Molecular Formula: | C28 H29 N3 O3 S |
| Smiles: | CCc1ccccc1NC(CSC1=C(C#N)C(C2=C(CCCC2=O)N1)c1ccccc1OCC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0882 |
| logD: | 2.3499 |
| logSw: | -4.7839 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.059 |
| InChI Key: | QKBZHGUDVPTULC-SANMLTNESA-N |