methyl 4-(4-bromophenyl)-7-(2-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 4-(4-bromophenyl)-7-(2-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
methyl 4-(4-bromophenyl)-7-(2-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 2204-2914 |
| Compound Name: | methyl 4-(4-bromophenyl)-7-(2-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 486.79 |
| Molecular Formula: | C24 H21 Br Cl N O3 |
| Smiles: | CC1=C(C(C2=C(CC(CC2=O)c2ccccc2[Cl])N1)c1ccc(cc1)[Br])C(=O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.8863 |
| logD: | 1.4061 |
| logSw: | -6.2068 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.824 |
| InChI Key: | FRWBIXHXZYUUFA-UHFFFAOYSA-N |