2-(ethylsulfanyl)ethyl 4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
2-(ethylsulfanyl)ethyl 4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-(ethylsulfanyl)ethyl 4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 8009-0976 |
| Compound Name: | 2-(ethylsulfanyl)ethyl 4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 489.63 |
| Molecular Formula: | C26 H35 N O6 S |
| Smiles: | CCSCCOC(C1C(C2=C(CC(C)(C)CC2=O)NC=1C)c1ccc(c(c1)OC)OCCO)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0418 |
| logD: | -1.2454 |
| logSw: | -3.2675 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.759 |
| InChI Key: | ULVSMVMMAXVCBM-QHCPKHFHSA-N |