2-(ethylsulfanyl)ethyl 4-[4-(acetyloxy)-3-ethoxyphenyl]-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]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-(ethylsulfanyl)ethyl 4-[4-(acetyloxy)-3-ethoxyphenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 2786-4454 |
| Compound Name: | 2-(ethylsulfanyl)ethyl 4-[4-(acetyloxy)-3-ethoxyphenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 473.59 |
| Molecular Formula: | C25 H31 N O6 S |
| Smiles: | CCOc1cc(ccc1OC(C)=O)C1C(=C(C)NC2CCCC(C1=2)=O)C(=O)OCCSCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4554 |
| logD: | -0.4404 |
| logSw: | -3.8689 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.017 |
| InChI Key: | VATMUVSCVDLTFT-QHCPKHFHSA-N |