benzyl 4-(4-bromophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
benzyl 4-(4-bromophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
benzyl 4-(4-bromophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 1781-2094 |
| Compound Name: | benzyl 4-(4-bromophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 528.45 |
| Molecular Formula: | C30 H26 Br N O3 |
| Smiles: | CC1=C(C(C2=C(CC(CC2=O)c2ccccc2)N1)c1ccc(cc1)[Br])C(=O)OCc1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.9334 |
| logD: | 2.7106 |
| logSw: | -5.8559 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.507 |
| InChI Key: | POXKYUMEUNDDIR-UHFFFAOYSA-N |