methyl 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
methyl 7-(3,4-dimethoxyphenyl)-2-methyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
methyl 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: | 4223-6937 |
| Compound Name: | methyl 7-(3,4-dimethoxyphenyl)-2-methyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 479.59 |
| Molecular Formula: | C27 H29 N O5 S |
| Smiles: | CC1=C(C(C2=C(CC(CC2=O)c2ccc(c(c2)OC)OC)N1)c1ccc(cc1)SC)C(=O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7967 |
| logD: | 0.3164 |
| logSw: | -4.7555 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.084 |
| InChI Key: | PAEHHYLJZDHANR-UHFFFAOYSA-N |