ethyl {[3-cyano-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[3-cyano-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetate
ethyl {[3-cyano-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 4552-4051 |
| Compound Name: | ethyl {[3-cyano-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 382.48 |
| Molecular Formula: | C21 H22 N2 O3 S |
| Smiles: | CCOC(CSC1=C(C#N)C(C2=C(CCCC2=O)N1)c1ccc(C)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6054 |
| logD: | 0.8671 |
| logSw: | -3.7689 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.828 |
| InChI Key: | BFSALGAKTACSNS-IBGZPJMESA-N |