2-(ethylsulfanyl)ethyl 4-(4-hydroxy-3-methoxyphenyl)-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-hydroxy-3-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-(ethylsulfanyl)ethyl 4-(4-hydroxy-3-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 3064-5116 |
| Compound Name: | 2-(ethylsulfanyl)ethyl 4-(4-hydroxy-3-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 523.65 |
| Molecular Formula: | C29 H33 N O6 S |
| Smiles: | CCSCCOC(C1C(C2=C(CC(CC2=O)c2ccc(cc2)OC)NC=1C)c1ccc(c(c1)OC)O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7641 |
| logD: | 0.2839 |
| logSw: | -4.3989 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.42 |
| InChI Key: | KRFHGTFZTYTBGW-UHFFFAOYSA-N |