dimethyl 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-1-methyl-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-1-methyl-1,4-dihydropyridine-3,5-dicarboxylate
dimethyl 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-1-methyl-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
| Compound ID: | K837-0437 |
| Compound Name: | dimethyl 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-1-methyl-1,4-dihydropyridine-3,5-dicarboxylate |
| Molecular Weight: | 392.36 |
| Molecular Formula: | C18 H20 N2 O8 |
| Smiles: | CCOc1cc(cc(c1O)[N+]([O-])=O)C1C(=CN(C)C=C1C(=O)OC)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.2231 |
| logD: | 2.0438 |
| logSw: | -2.1027 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.983 |
| InChI Key: | JBQLHINMCCNVRO-UHFFFAOYSA-N |