diethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-1-[(3,4-dimethoxyphenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
diethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-1-[(3,4-dimethoxyphenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
diethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-1-[(3,4-dimethoxyphenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
| Compound ID: | K837-0959 |
| Compound Name: | diethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-1-[(3,4-dimethoxyphenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate |
| Molecular Weight: | 574.43 |
| Molecular Formula: | C27 H28 Br N O8 |
| Smiles: | CCOC(C1=CN(Cc2ccc(c(c2)OC)OC)C=C(C1c1cc2c(cc1[Br])OCO2)C(=O)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4149 |
| logD: | 4.4149 |
| logSw: | -4.3482 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 76.813 |
| InChI Key: | JBKBRUQDSMBRIH-UHFFFAOYSA-N |