dimethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-[(4-fluorophenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-[(4-fluorophenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
dimethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-[(4-fluorophenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
| Compound ID: | K837-1643 |
| Compound Name: | dimethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-[(4-fluorophenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate |
| Molecular Weight: | 506.32 |
| Molecular Formula: | C23 H21 Br F N O6 |
| Smiles: | COC(C1=CN(Cc2ccc(cc2)F)C=C(C1c1cc(c(c(c1)[Br])O)OC)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5841 |
| logD: | 3.5766 |
| logSw: | -3.5677 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.386 |
| InChI Key: | NVQGVRVEZBXDNN-UHFFFAOYSA-N |