diethyl 4-(2H-1,3-benzodioxol-5-yl)-1-(3,5-dimethylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
diethyl 4-(2H-1,3-benzodioxol-5-yl)-1-(3,5-dimethylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
diethyl 4-(2H-1,3-benzodioxol-5-yl)-1-(3,5-dimethylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
| Compound ID: | K813-0084 |
| Compound Name: | diethyl 4-(2H-1,3-benzodioxol-5-yl)-1-(3,5-dimethylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate |
| Molecular Weight: | 449.5 |
| Molecular Formula: | C26 H27 N O6 |
| Smiles: | CCOC(C1=CN(C=C(C1c1ccc2c(c1)OCO2)C(=O)OCC)c1cc(C)cc(C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2794 |
| logD: | 5.2794 |
| logSw: | -5.2403 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.272 |
| InChI Key: | ZRDSQYPMLWJCAF-UHFFFAOYSA-N |