dimethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-1-[(4-fluorophenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-1-[(4-fluorophenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
dimethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-1-[(4-fluorophenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
| Compound ID: | K837-0814 |
| Compound Name: | dimethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-1-[(4-fluorophenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate |
| Molecular Weight: | 520.35 |
| Molecular Formula: | C24 H23 Br F N O6 |
| Smiles: | CCOc1cc(cc(c1O)[Br])C1C(=CN(Cc2ccc(cc2)F)C=C1C(=O)OC)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.2897 |
| logD: | 4.2857 |
| logSw: | -4.1853 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.966 |
| InChI Key: | WRGGVKDKGBWWPK-UHFFFAOYSA-N |