dimethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-1-ethyl-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-1-ethyl-1,4-dihydropyridine-3,5-dicarboxylate
dimethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-1-ethyl-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
| Compound ID: | 3999-6418 |
| Compound Name: | dimethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-1-ethyl-1,4-dihydropyridine-3,5-dicarboxylate |
| Molecular Weight: | 424.25 |
| Molecular Formula: | C18 H18 Br N O6 |
| Smiles: | CCN1C=C(C(C(=C1)C(=O)OC)c1cc2c(cc1[Br])OCO2)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.7791 |
| logD: | 2.7791 |
| logSw: | -2.9975 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.389 |
| InChI Key: | ONBAYSHCNDYYHZ-UHFFFAOYSA-N |