3-ethyl 6-methyl 2,7-dimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Chemical Structure Depiction of
3-ethyl 6-methyl 2,7-dimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
3-ethyl 6-methyl 2,7-dimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Compound characteristics
| Compound ID: | C119-0096 |
| Compound Name: | 3-ethyl 6-methyl 2,7-dimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate |
| Molecular Weight: | 429.53 |
| Molecular Formula: | C23 H27 N O5 S |
| Smiles: | CCOC(C1C(C2=C(CC(C)C(C2=O)C(=O)OC)NC=1C)c1ccc(cc1)SC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.036 |
| logD: | 0.202 |
| logSw: | -4.1021 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.747 |
| InChI Key: | UYCIPTOEAMTISB-UHFFFAOYSA-N |