dibenzyl 4-[3-(4-bromophenyl)-1-phenyl-1H-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
dibenzyl 4-[3-(4-bromophenyl)-1-phenyl-1H-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
dibenzyl 4-[3-(4-bromophenyl)-1-phenyl-1H-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
Compound ID: | 2556-2165 |
Compound Name: | dibenzyl 4-[3-(4-bromophenyl)-1-phenyl-1H-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate |
Molecular Weight: | 674.6 |
Molecular Formula: | C38 H32 Br N3 O4 |
Smiles: | CC1=C(C(C(=C(C)N1)C(=O)OCc1ccccc1)c1cn(c2ccccc2)nc1c1ccc(cc1)[Br])C(=O)OCc1ccccc1 |
Stereo: | ACHIRAL |
logP: | 8.1507 |
logD: | 4.6167 |
logSw: | -5.8277 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 66.702 |
InChI Key: | PUPYVPOTIYGBSM-UHFFFAOYSA-N |