2-(ethylsulfanyl)ethyl 4-[4-(acetyloxy)-3-ethoxyphenyl]-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
2-(ethylsulfanyl)ethyl 4-[4-(acetyloxy)-3-ethoxyphenyl]-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-(ethylsulfanyl)ethyl 4-[4-(acetyloxy)-3-ethoxyphenyl]-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 4099-6564 |
| Compound Name: | 2-(ethylsulfanyl)ethyl 4-[4-(acetyloxy)-3-ethoxyphenyl]-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 579.71 |
| Molecular Formula: | C32 H37 N O7 S |
| Smiles: | CCOc1cc(ccc1OC(C)=O)C1C(=C(C)NC2CC(CC(C1=2)=O)c1ccc(cc1)OC)C(=O)OCCSCC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2401 |
| logD: | 0.7598 |
| logSw: | -5.0876 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.289 |
| InChI Key: | VONVIVQCDRGQAX-UHFFFAOYSA-N |