diethyl 4-(2H-1,3-benzodioxol-5-yl)-1-(2,5-dimethylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
diethyl 4-(2H-1,3-benzodioxol-5-yl)-1-(2,5-dimethylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
diethyl 4-(2H-1,3-benzodioxol-5-yl)-1-(2,5-dimethylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
| Compound ID: | K813-0180 |
| Compound Name: | diethyl 4-(2H-1,3-benzodioxol-5-yl)-1-(2,5-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)ccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2496 |
| logD: | 5.2496 |
| logSw: | -5.1491 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.971 |
| InChI Key: | QTQXCUKSGDAYPY-UHFFFAOYSA-N |