dimethyl 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(3,4-dimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(3,4-dimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
dimethyl 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(3,4-dimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
| Compound ID: | K813-0187 |
| Compound Name: | dimethyl 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(3,4-dimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate |
| Molecular Weight: | 467.47 |
| Molecular Formula: | C25 H25 N O8 |
| Smiles: | COC(C1=CN(Cc2ccc3c(c2)OCO3)C=C(C1c1ccc(c(c1)OC)OC)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0706 |
| logD: | 3.0706 |
| logSw: | -3.15 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 77.653 |
| InChI Key: | CERSSEZSHPPBJE-UHFFFAOYSA-N |