2-ethoxyethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
2-ethoxyethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-ethoxyethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 2827-4585 |
| Compound Name: | 2-ethoxyethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 554.44 |
| Molecular Formula: | C28 H28 Br N O6 |
| Smiles: | CCOCCOC(C1C(C2=C(CC(CC2=O)c2ccccc2)NC=1C)c1cc2c(cc1[Br])OCO2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3112 |
| logD: | 0.9941 |
| logSw: | -5.3535 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.79 |
| InChI Key: | XQNJTGVIKZTDHF-UHFFFAOYSA-N |