cyclohexyl 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
cyclohexyl 7-(3,4-dimethoxyphenyl)-2-methyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
cyclohexyl 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: | 4223-6868 |
| Compound Name: | cyclohexyl 7-(3,4-dimethoxyphenyl)-2-methyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 547.71 |
| Molecular Formula: | C32 H37 N O5 S |
| Smiles: | CC1=C(C(C2=C(CC(CC2=O)c2ccc(c(c2)OC)OC)N1)c1ccc(cc1)SC)C(=O)OC1CCCCC1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.7947 |
| logD: | 2.3144 |
| logSw: | -5.606 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.994 |
| InChI Key: | UPGDPHFLEWIHCA-UHFFFAOYSA-N |