3-[2-(ethylsulfanyl)ethyl] 6-methyl 4-(2-bromo-4,5-dimethoxyphenyl)-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-(2-bromo-4,5-dimethoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
3-[2-(ethylsulfanyl)ethyl] 6-methyl 4-(2-bromo-4,5-dimethoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Compound characteristics
| Compound ID: | C119-0077 |
| Compound Name: | 3-[2-(ethylsulfanyl)ethyl] 6-methyl 4-(2-bromo-4,5-dimethoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate |
| Molecular Weight: | 582.51 |
| Molecular Formula: | C26 H32 Br N O7 S |
| Smiles: | CCSCCOC(C1C(C2=C(CC(C)C(C2=O)C(=O)OC)NC=1C)c1cc(c(cc1[Br])OC)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0772 |
| logD: | 0.4064 |
| logSw: | -4.1932 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.302 |
| InChI Key: | COXGWAZPXVSFKV-UHFFFAOYSA-N |