2-{[3-cyano-4-(2-ethoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(2,6-dimethylphenyl)acetamide
Chemical Structure Depiction of
2-{[3-cyano-4-(2-ethoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(2,6-dimethylphenyl)acetamide
2-{[3-cyano-4-(2-ethoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(2,6-dimethylphenyl)acetamide
Compound characteristics
Compound ID: | 4552-5762 |
Compound Name: | 2-{[3-cyano-4-(2-ethoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(2,6-dimethylphenyl)acetamide |
Molecular Weight: | 487.62 |
Molecular Formula: | C28 H29 N3 O3 S |
Smiles: | CCOc1ccccc1C1C(C#N)=C(NC2CCCC(C1=2)=O)SCC(Nc1c(C)cccc1C)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.7734 |
logD: | 2.035 |
logSw: | -4.4398 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 69.362 |
InChI Key: | QSVDKVYFNMXEQL-VWLOTQADSA-N |