3-ethyl 6-methyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Chemical Structure Depiction of
3-ethyl 6-methyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
3-ethyl 6-methyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Compound characteristics
| Compound ID: | C119-0029 |
| Compound Name: | 3-ethyl 6-methyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate |
| Molecular Weight: | 522.39 |
| Molecular Formula: | C24 H28 Br N O7 |
| Smiles: | CCOC(C1C(C2=C(CC(C)C(C2=O)C(=O)OC)NC=1C)c1cc(c(c(c1)[Br])O)OCC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0327 |
| logD: | 0.1987 |
| logSw: | -3.9837 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.437 |
| InChI Key: | PJNFQLOZNNQBOO-UHFFFAOYSA-N |