3-[2-(ethylsulfanyl)ethyl] 6-methyl 4-(3-bromo-4-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-(3-bromo-4-methoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
3-[2-(ethylsulfanyl)ethyl] 6-methyl 4-(3-bromo-4-methoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Compound characteristics
| Compound ID: | C119-0032 |
| Compound Name: | 3-[2-(ethylsulfanyl)ethyl] 6-methyl 4-(3-bromo-4-methoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate |
| Molecular Weight: | 552.48 |
| Molecular Formula: | C25 H30 Br N O6 S |
| Smiles: | CCSCCOC(C1C(C2=C(CC(C)C(C2=O)C(=O)OC)NC=1C)c1ccc(c(c1)[Br])OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2503 |
| logD: | 0.4163 |
| logSw: | -4.3048 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.672 |
| InChI Key: | IDYNZMLPKFQGDY-UHFFFAOYSA-N |