diethyl 4-(3-bromo-4-ethoxy-5-methoxyphenyl)-1-[(4-fluorophenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
diethyl 4-(3-bromo-4-ethoxy-5-methoxyphenyl)-1-[(4-fluorophenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
diethyl 4-(3-bromo-4-ethoxy-5-methoxyphenyl)-1-[(4-fluorophenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
| Compound ID: | K837-0421 |
| Compound Name: | diethyl 4-(3-bromo-4-ethoxy-5-methoxyphenyl)-1-[(4-fluorophenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate |
| Molecular Weight: | 562.43 |
| Molecular Formula: | C27 H29 Br F N O6 |
| Smiles: | CCOC(C1=CN(Cc2ccc(cc2)F)C=C(C1c1cc(c(c(c1)[Br])OCC)OC)C(=O)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4466 |
| logD: | 5.4466 |
| logSw: | -5.4392 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.364 |
| InChI Key: | TUJXJQBKRAPFTP-UHFFFAOYSA-N |