3-[2-(ethylsulfanyl)ethyl] 6-methyl 2,7-dimethyl-5-oxo-4-{2-[(propan-2-yl)oxy]phenyl}-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Chemical Structure Depiction of
3-[2-(ethylsulfanyl)ethyl] 6-methyl 2,7-dimethyl-5-oxo-4-{2-[(propan-2-yl)oxy]phenyl}-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
3-[2-(ethylsulfanyl)ethyl] 6-methyl 2,7-dimethyl-5-oxo-4-{2-[(propan-2-yl)oxy]phenyl}-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Compound characteristics
| Compound ID: | C119-0055 |
| Compound Name: | 3-[2-(ethylsulfanyl)ethyl] 6-methyl 2,7-dimethyl-5-oxo-4-{2-[(propan-2-yl)oxy]phenyl}-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate |
| Molecular Weight: | 501.64 |
| Molecular Formula: | C27 H35 N O6 S |
| Smiles: | CCSCCOC(C1C(C2=C(CC(C)C(C2=O)C(=O)OC)NC=1C)c1ccccc1OC(C)C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.612 |
| logD: | 0.778 |
| logSw: | -4.381 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.931 |
| InChI Key: | AGKOZJWDZZNKRL-UHFFFAOYSA-N |