ethyl ({3-cyano-5-oxo-4-[4-(propan-2-yl)phenyl]-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)acetate
Chemical Structure Depiction of
ethyl ({3-cyano-5-oxo-4-[4-(propan-2-yl)phenyl]-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)acetate
ethyl ({3-cyano-5-oxo-4-[4-(propan-2-yl)phenyl]-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | 4552-4217 |
| Compound Name: | ethyl ({3-cyano-5-oxo-4-[4-(propan-2-yl)phenyl]-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)acetate |
| Molecular Weight: | 410.53 |
| Molecular Formula: | C23 H26 N2 O3 S |
| Smiles: | CCOC(CSC1=C(C#N)C(C2=C(CCCC2=O)N1)c1ccc(cc1)C(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5202 |
| logD: | 1.7819 |
| logSw: | -4.2518 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.828 |
| InChI Key: | GAORTRMTELRWQE-NRFANRHFSA-N |