2-phenylethyl 4-(4-bromophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
2-phenylethyl 4-(4-bromophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-phenylethyl 4-(4-bromophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 2326-3258 |
| Compound Name: | 2-phenylethyl 4-(4-bromophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 542.47 |
| Molecular Formula: | C31 H28 Br N O3 |
| Smiles: | CC1=C(C(C2=C(CC(CC2=O)c2ccccc2)N1)c1ccc(cc1)[Br])C(=O)OCCc1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.3672 |
| logD: | 2.8869 |
| logSw: | -5.8069 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.426 |
| InChI Key: | XNIBXTNAWSWDIG-UHFFFAOYSA-N |