ethyl 7-(3,4-dimethoxyphenyl)-2-methyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
ethyl 7-(3,4-dimethoxyphenyl)-2-methyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
ethyl 7-(3,4-dimethoxyphenyl)-2-methyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 4223-6999 |
| Compound Name: | ethyl 7-(3,4-dimethoxyphenyl)-2-methyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 493.62 |
| Molecular Formula: | C28 H31 N O5 S |
| Smiles: | CCOC(C1C(C2=C(CC(CC2=O)c2ccc(c(c2)OC)OC)NC=1C)c1ccc(cc1)SC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2372 |
| logD: | 0.7569 |
| logSw: | -5.1343 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.664 |
| InChI Key: | HRYYTBSBUBDMRZ-UHFFFAOYSA-N |