diethyl 1-[(3,4-dimethoxyphenyl)methyl]-4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
diethyl 1-[(3,4-dimethoxyphenyl)methyl]-4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
diethyl 1-[(3,4-dimethoxyphenyl)methyl]-4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
| Compound ID: | K837-0730 |
| Compound Name: | diethyl 1-[(3,4-dimethoxyphenyl)methyl]-4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate |
| Molecular Weight: | 556.57 |
| Molecular Formula: | C28 H32 N2 O10 |
| Smiles: | CCOC(C1=CN(Cc2ccc(c(c2)OC)OC)C=C(C1c1cc(c(c(c1)OCC)O)[N+]([O-])=O)C(=O)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2571 |
| logD: | 4.0778 |
| logSw: | -4.2552 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 115.467 |
| InChI Key: | XXNFKSLZKPHBNE-UHFFFAOYSA-N |