3-[2-(ethylsulfanyl)ethyl] 6-methyl 4-(4-ethoxyphenyl)-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-(4-ethoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
3-[2-(ethylsulfanyl)ethyl] 6-methyl 4-(4-ethoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Compound characteristics
| Compound ID: | C119-0005 |
| Compound Name: | 3-[2-(ethylsulfanyl)ethyl] 6-methyl 4-(4-ethoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate |
| Molecular Weight: | 487.62 |
| Molecular Formula: | C26 H33 N O6 S |
| Smiles: | CCOc1ccc(cc1)C1C(=C(C)NC2CC(C)C(C(C1=2)=O)C(=O)OC)C(=O)OCCSCC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.208 |
| logD: | 0.374 |
| logSw: | -4.1853 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.165 |
| InChI Key: | BQNRIBQVVXMGTH-UHFFFAOYSA-N |