2-(ethylsulfanyl)ethyl 4-[4-(acetyloxy)-3-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-methoxyphenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-(ethylsulfanyl)ethyl 4-[4-(acetyloxy)-3-methoxyphenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 2431-3882 |
| Compound Name: | 2-(ethylsulfanyl)ethyl 4-[4-(acetyloxy)-3-methoxyphenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 459.56 |
| Molecular Formula: | C24 H29 N O6 S |
| Smiles: | CCSCCOC(C1C(C2=C(CCCC2=O)NC=1C)c1ccc(c(c1)OC)OC(C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3097 |
| logD: | -0.586 |
| logSw: | -3.7397 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.437 |
| InChI Key: | HNJCYLGEDGSASC-QFIPXVFZSA-N |