dimethyl 1-[(3,4-dimethoxyphenyl)methyl]-4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 1-[(3,4-dimethoxyphenyl)methyl]-4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
dimethyl 1-[(3,4-dimethoxyphenyl)methyl]-4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
| Compound ID: | K837-0397 |
| Compound Name: | dimethyl 1-[(3,4-dimethoxyphenyl)methyl]-4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate |
| Molecular Weight: | 528.52 |
| Molecular Formula: | C26 H28 N2 O10 |
| Smiles: | CCOc1cc(cc(c1O)[N+]([O-])=O)C1C(=CN(Cc2ccc(c(c2)OC)OC)C=C1C(=O)OC)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.413 |
| logD: | 3.2337 |
| logSw: | -3.7027 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 116.308 |
| InChI Key: | GKUKNQYOCJBLIZ-UHFFFAOYSA-N |