dimethyl 4-(2H-1,3-benzodioxol-5-yl)-1-[(2H-1,3-benzodioxol-5-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 4-(2H-1,3-benzodioxol-5-yl)-1-[(2H-1,3-benzodioxol-5-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
dimethyl 4-(2H-1,3-benzodioxol-5-yl)-1-[(2H-1,3-benzodioxol-5-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
| Compound ID: | K813-0162 |
| Compound Name: | dimethyl 4-(2H-1,3-benzodioxol-5-yl)-1-[(2H-1,3-benzodioxol-5-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate |
| Molecular Weight: | 451.43 |
| Molecular Formula: | C24 H21 N O8 |
| Smiles: | COC(C1=CN(Cc2ccc3c(c2)OCO3)C=C(C1c1ccc2c(c1)OCO2)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3688 |
| logD: | 3.3688 |
| logSw: | -3.4629 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.508 |
| InChI Key: | PUPCYTIHHHCLIN-UHFFFAOYSA-N |