methyl 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
methyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
methyl 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: | 2398-3627 |
| Compound Name: | methyl 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: | 528.4 |
| Molecular Formula: | C26 H26 Br N O6 |
| Smiles: | CC1=C(C(C2=C(CC(CC2=O)c2ccc(cc2)OC)N1)c1cc(c(c(c1)[Br])O)OC)C(=O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5738 |
| logD: | 0.0935 |
| logSw: | -4.3495 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.477 |
| InChI Key: | JSTYJSLFLIVBIP-UHFFFAOYSA-N |