dimethyl 4-(2H-1,3-benzodioxol-5-yl)-1-[(thiophen-2-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 4-(2H-1,3-benzodioxol-5-yl)-1-[(thiophen-2-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
dimethyl 4-(2H-1,3-benzodioxol-5-yl)-1-[(thiophen-2-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
| Compound ID: | K813-0068 |
| Compound Name: | dimethyl 4-(2H-1,3-benzodioxol-5-yl)-1-[(thiophen-2-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate |
| Molecular Weight: | 413.45 |
| Molecular Formula: | C21 H19 N O6 S |
| Smiles: | COC(C1=CN(Cc2cccs2)C=C(C1c1ccc2c(c1)OCO2)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2942 |
| logD: | 3.2942 |
| logSw: | -3.4782 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.411 |
| InChI Key: | PWPJZIAHYYQKQB-UHFFFAOYSA-N |