ethyl {[4-(2H-1,3-benzodioxol-5-yl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[4-(2H-1,3-benzodioxol-5-yl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetate
ethyl {[4-(2H-1,3-benzodioxol-5-yl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 4296-0708 |
| Compound Name: | ethyl {[4-(2H-1,3-benzodioxol-5-yl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 412.46 |
| Molecular Formula: | C21 H20 N2 O5 S |
| Smiles: | CCOC(CSC1=C(C#N)C(C2=C(CCCC2=O)N1)c1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.135 |
| logD: | 0.3967 |
| logSw: | -3.4276 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.943 |
| InChI Key: | YDEMGKAGWIOEME-IBGZPJMESA-N |