2-(ethylsulfanyl)ethyl 4-(3-bromo-4-fluorophenyl)-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-fluorophenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-(ethylsulfanyl)ethyl 4-(3-bromo-4-fluorophenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 5991-0504 |
| Compound Name: | 2-(ethylsulfanyl)ethyl 4-(3-bromo-4-fluorophenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 574.51 |
| Molecular Formula: | C28 H29 Br F N O4 S |
| Smiles: | CCSCCOC(C1C(C2=C(CC(CC2=O)c2ccccc2OC)NC=1C)c1ccc(c(c1)[Br])F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.3301 |
| logD: | 1.8498 |
| logSw: | -5.4767 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.328 |
| InChI Key: | HFTAZQJCRVVHSU-UHFFFAOYSA-N |