diethyl 7-(3-methoxyphenyl)-2-methyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Chemical Structure Depiction of
diethyl 7-(3-methoxyphenyl)-2-methyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
diethyl 7-(3-methoxyphenyl)-2-methyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Compound characteristics
| Compound ID: | 4404-0086 |
| Compound Name: | diethyl 7-(3-methoxyphenyl)-2-methyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate |
| Molecular Weight: | 535.66 |
| Molecular Formula: | C30 H33 N O6 S |
| Smiles: | CCOC(C1C(CC2=C(C(C(=C(C)N2)C(=O)OCC)c2ccc(cc2)SC)C1=O)c1cccc(c1)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.6368 |
| logD: | 1.414 |
| logSw: | -5.4254 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.599 |
| InChI Key: | QGDZQMCMLRRUQJ-UHFFFAOYSA-N |