3-[2-(ethylsulfanyl)ethyl] 6-methyl 4-(3-hydroxy-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-hydroxy-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-hydroxy-4-methoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Compound characteristics
| Compound ID: | C119-0034 |
| Compound Name: | 3-[2-(ethylsulfanyl)ethyl] 6-methyl 4-(3-hydroxy-4-methoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate |
| Molecular Weight: | 489.59 |
| Molecular Formula: | C25 H31 N O7 S |
| Smiles: | CCSCCOC(C1C(C2=C(CC(C)C(C2=O)C(=O)OC)NC=1C)c1ccc(c(c1)O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2397 |
| logD: | -0.5943 |
| logSw: | -3.2274 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.22 |
| InChI Key: | NDEIPTGPBLIWOR-UHFFFAOYSA-N |