2-(ethylsulfanyl)ethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
2-(ethylsulfanyl)ethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-(ethylsulfanyl)ethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 5991-0359 |
| Compound Name: | 2-(ethylsulfanyl)ethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 602.54 |
| Molecular Formula: | C29 H32 Br N O6 S |
| Smiles: | CCSCCOC(C1C(C2=C(CC(CC2=O)c2ccccc2OC)NC=1C)c1cc(c(c(c1)[Br])O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.7078 |
| logD: | 1.2275 |
| logSw: | -5.2913 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.438 |
| InChI Key: | ZMXCQPSKYTVKEP-UHFFFAOYSA-N |