dimethyl 4-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 4-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
dimethyl 4-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
Compound ID: | K837-1295 |
Compound Name: | dimethyl 4-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate |
Molecular Weight: | 460.3 |
Molecular Formula: | C22 H19 Br F N O4 |
Smiles: | COC(C1=CN(Cc2ccc(cc2)F)C=C(C1c1ccc(cc1)[Br])C(=O)OC)=O |
Stereo: | ACHIRAL |
logP: | 4.4075 |
logD: | 4.4075 |
logSw: | -4.4584 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 45.277 |
InChI Key: | AHLWUANNJHXPQD-UHFFFAOYSA-N |