methyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-(4-chlorophenyl)-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-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
methyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 8009-4364 |
| Compound Name: | methyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 532.82 |
| Molecular Formula: | C25 H23 Br Cl N O5 |
| Smiles: | CC1=C(C(C2=C(CC(CC2=O)c2ccc(cc2)[Cl])N1)c1cc(c(c(c1)[Br])O)OC)C(=O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1861 |
| logD: | 0.7059 |
| logSw: | -5.5265 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.933 |
| InChI Key: | XZBTYVFFSUNBPD-UHFFFAOYSA-N |