2-ethoxyethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
2-ethoxyethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-ethoxyethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 4099-6607 |
| Compound Name: | 2-ethoxyethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 584.46 |
| Molecular Formula: | C29 H30 Br N O7 |
| Smiles: | CCOCCOC(C1C(C2=C(CC(CC2=O)c2ccc(cc2)OC)NC=1C)c1cc2c(cc1[Br])OCO2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2893 |
| logD: | 0.9722 |
| logSw: | -5.3518 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.334 |
| InChI Key: | CSENIHBGMSCXSP-UHFFFAOYSA-N |