2-phenylethyl 4-(3-bromophenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
2-phenylethyl 4-(3-bromophenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-phenylethyl 4-(3-bromophenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
Compound ID: | 2406-3682 |
Compound Name: | 2-phenylethyl 4-(3-bromophenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
Molecular Weight: | 576.92 |
Molecular Formula: | C31 H27 Br Cl N O3 |
Smiles: | CC1=C(C(C2=C(CC(CC2=O)c2ccc(cc2)[Cl])N1)c1cccc(c1)[Br])C(=O)OCCc1ccccc1 |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 7.9622 |
logD: | 3.482 |
logSw: | -6.5109 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 44.426 |
InChI Key: | SJHXCFXLHWTTSX-UHFFFAOYSA-N |