2-(ethylsulfanyl)ethyl 4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
2-(ethylsulfanyl)ethyl 4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-(ethylsulfanyl)ethyl 4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
Compound ID: | 8009-6395 |
Compound Name: | 2-(ethylsulfanyl)ethyl 4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
Molecular Weight: | 417.52 |
Molecular Formula: | C22 H27 N O5 S |
Smiles: | CCSCCOC(C1C(C2=C(CCCC2=O)NC=1C)c1ccc(c(c1)OC)O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.9794 |
logD: | -0.9164 |
logSw: | -3.2003 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 69.148 |
InChI Key: | MPKJSJSYGKVQBP-FQEVSTJZSA-N |