2-phenoxyethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
2-phenoxyethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-phenoxyethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 2732-4424 |
| Compound Name: | 2-phenoxyethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 634.52 |
| Molecular Formula: | C33 H32 Br N O7 |
| Smiles: | CC1=C(C(C2=C(CC(CC2=O)c2ccc(cc2)OC)N1)c1cc(c(c(c1)[Br])O)OC)C(=O)OCCOc1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.0032 |
| logD: | 1.5229 |
| logSw: | -5.3866 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.497 |
| InChI Key: | AOELLSRNDQRGSZ-UHFFFAOYSA-N |