dimethyl 4-(3-bromo-4-fluorophenyl)-1-[(4-chlorophenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 4-(3-bromo-4-fluorophenyl)-1-[(4-chlorophenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
dimethyl 4-(3-bromo-4-fluorophenyl)-1-[(4-chlorophenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
Compound ID: | K837-1563 |
Compound Name: | dimethyl 4-(3-bromo-4-fluorophenyl)-1-[(4-chlorophenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate |
Molecular Weight: | 494.74 |
Molecular Formula: | C22 H18 Br Cl F N O4 |
Smiles: | COC(C1=CN(Cc2ccc(cc2)[Cl])C=C(C1c1ccc(c(c1)[Br])F)C(=O)OC)=O |
Stereo: | ACHIRAL |
logP: | 4.7721 |
logD: | 4.7721 |
logSw: | -5.1113 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 45.277 |
InChI Key: | ZPCTXUICFBVGMX-UHFFFAOYSA-N |