methyl 4-(3-bromo-4-fluorophenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 4-(3-bromo-4-fluorophenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
methyl 4-(3-bromo-4-fluorophenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 8013-7071 |
| Compound Name: | methyl 4-(3-bromo-4-fluorophenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 500.36 |
| Molecular Formula: | C25 H23 Br F N O4 |
| Smiles: | CC1=C(C(C2=C(CC(CC2=O)c2ccccc2OC)N1)c1ccc(c(c1)[Br])F)C(=O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3672 |
| logD: | 0.8869 |
| logSw: | -5.4284 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.454 |
| InChI Key: | HVKKHYAFVBLEAO-UHFFFAOYSA-N |