3-[2-(ethylsulfanyl)ethyl] 6-methyl 4-[4-(benzyloxy)-3-methoxyphenyl]-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Chemical Structure Depiction of
3-[2-(ethylsulfanyl)ethyl] 6-methyl 4-[4-(benzyloxy)-3-methoxyphenyl]-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
3-[2-(ethylsulfanyl)ethyl] 6-methyl 4-[4-(benzyloxy)-3-methoxyphenyl]-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Compound characteristics
| Compound ID: | C119-0010 |
| Compound Name: | 3-[2-(ethylsulfanyl)ethyl] 6-methyl 4-[4-(benzyloxy)-3-methoxyphenyl]-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate |
| Molecular Weight: | 579.71 |
| Molecular Formula: | C32 H37 N O7 S |
| Smiles: | CCSCCOC(C1C(C2=C(CC(C)C(C2=O)C(=O)OC)NC=1C)c1ccc(c(c1)OC)OCc1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0348 |
| logD: | 1.2008 |
| logSw: | -4.9525 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.986 |
| InChI Key: | CELSLVSRAQJBLD-UHFFFAOYSA-N |