diethyl 4-(2H-1,3-benzodioxol-5-yl)-1-methyl-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
diethyl 4-(2H-1,3-benzodioxol-5-yl)-1-methyl-1,4-dihydropyridine-3,5-dicarboxylate
diethyl 4-(2H-1,3-benzodioxol-5-yl)-1-methyl-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
| Compound ID: | K837-0917 |
| Compound Name: | diethyl 4-(2H-1,3-benzodioxol-5-yl)-1-methyl-1,4-dihydropyridine-3,5-dicarboxylate |
| Molecular Weight: | 359.38 |
| Molecular Formula: | C19 H21 N O6 |
| Smiles: | CCOC(C1=CN(C)C=C(C1c1ccc2c(c1)OCO2)C(=O)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7248 |
| logD: | 2.7248 |
| logSw: | -2.9642 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.488 |
| InChI Key: | XFGPZQCSMHXNLB-UHFFFAOYSA-N |