diethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-1-[(4-fluorophenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
diethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-1-[(4-fluorophenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
diethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-1-[(4-fluorophenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
| Compound ID: | K837-0223 |
| Compound Name: | diethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-1-[(4-fluorophenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate |
| Molecular Weight: | 548.41 |
| Molecular Formula: | C26 H27 Br F N O6 |
| Smiles: | CCOC(C1=CN(Cc2ccc(cc2)F)C=C(C1c1cc(c(c(c1)[Br])O)OCC)C(=O)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1338 |
| logD: | 5.1298 |
| logSw: | -4.8896 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.126 |
| InChI Key: | QZWQVSOZJYXUPU-UHFFFAOYSA-N |