2-(ethylsulfanyl)ethyl 4-(5-bromo-2-fluorophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
2-(ethylsulfanyl)ethyl 4-(5-bromo-2-fluorophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-(ethylsulfanyl)ethyl 4-(5-bromo-2-fluorophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 4568-7357 |
| Compound Name: | 2-(ethylsulfanyl)ethyl 4-(5-bromo-2-fluorophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 550.51 |
| Molecular Formula: | C25 H25 Br F N O3 S2 |
| Smiles: | CCSCCOC(C1C(C2=C(CC(CC2=O)c2cccs2)NC=1C)c1cc(ccc1F)[Br])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.2706 |
| logD: | 2.088 |
| logSw: | -5.4134 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.716 |
| InChI Key: | FTRQOONAHHINIM-UHFFFAOYSA-N |