diethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-1-[(4-methoxyphenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
diethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-1-[(4-methoxyphenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
diethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-1-[(4-methoxyphenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
| Compound ID: | K837-0174 |
| Compound Name: | diethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-1-[(4-methoxyphenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate |
| Molecular Weight: | 544.4 |
| Molecular Formula: | C26 H26 Br N O7 |
| Smiles: | CCOC(C1=CN(Cc2ccc(cc2)OC)C=C(C1c1cc2c(cc1[Br])OCO2)C(=O)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8243 |
| logD: | 4.8243 |
| logSw: | -4.5916 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.096 |
| InChI Key: | GJBJGWQPPSNISP-UHFFFAOYSA-N |