ethyl ({4-[4-(benzyloxy)phenyl]-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)acetate
Chemical Structure Depiction of
ethyl ({4-[4-(benzyloxy)phenyl]-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)acetate
ethyl ({4-[4-(benzyloxy)phenyl]-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | 4552-5744 |
| Compound Name: | ethyl ({4-[4-(benzyloxy)phenyl]-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)acetate |
| Molecular Weight: | 474.58 |
| Molecular Formula: | C27 H26 N2 O4 S |
| Smiles: | CCOC(CSC1=C(C#N)C(C2=C(CCCC2=O)N1)c1ccc(cc1)OCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5963 |
| logD: | 1.858 |
| logSw: | -4.6136 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.055 |
| InChI Key: | QGJGQKPETYYISB-VWLOTQADSA-N |