dimethyl 1-[(3,4-dimethoxyphenyl)methyl]-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 1-[(3,4-dimethoxyphenyl)methyl]-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
dimethyl 1-[(3,4-dimethoxyphenyl)methyl]-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
| Compound ID: | K837-0904 |
| Compound Name: | dimethyl 1-[(3,4-dimethoxyphenyl)methyl]-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate |
| Molecular Weight: | 514.49 |
| Molecular Formula: | C25 H26 N2 O10 |
| Smiles: | COC(C1=CN(Cc2ccc(c(c2)OC)OC)C=C(C1c1cc(c(c(c1)OC)O)[N+]([O-])=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7075 |
| logD: | 2.4116 |
| logSw: | -2.9217 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 116.728 |
| InChI Key: | DWYUFCIYEIFIIN-UHFFFAOYSA-N |