2-{[3-cyano-7,7-dimethyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(2,4-dimethylphenyl)acetamide
Chemical Structure Depiction of
2-{[3-cyano-7,7-dimethyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(2,4-dimethylphenyl)acetamide
2-{[3-cyano-7,7-dimethyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(2,4-dimethylphenyl)acetamide
Compound characteristics
| Compound ID: | 8011-7497 |
| Compound Name: | 2-{[3-cyano-7,7-dimethyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(2,4-dimethylphenyl)acetamide |
| Molecular Weight: | 477.65 |
| Molecular Formula: | C26 H27 N3 O2 S2 |
| Smiles: | Cc1ccc(c(C)c1)NC(CSC1=C(C#N)C(C2=C(CC(C)(C)CC2=O)N1)c1cccs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7643 |
| logD: | 1.4827 |
| logSw: | -4.5146 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.868 |
| InChI Key: | ZHLBCVPYUNJADL-QHCPKHFHSA-N |