dimethyl 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-1-[(4-methoxyphenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-1-[(4-methoxyphenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
dimethyl 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-1-[(4-methoxyphenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
| Compound ID: | K837-1546 |
| Compound Name: | dimethyl 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-1-[(4-methoxyphenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate |
| Molecular Weight: | 498.49 |
| Molecular Formula: | C25 H26 N2 O9 |
| Smiles: | CCOc1cc(cc(c1O)[N+]([O-])=O)C1C(=CN(Cc2ccc(cc2)OC)C=C1C(=O)OC)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.8224 |
| logD: | 3.6431 |
| logSw: | -4.0017 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 108.59 |
| InChI Key: | NOCHFLZITFAXGP-UHFFFAOYSA-N |