diethyl 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-1-methyl-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
diethyl 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-1-methyl-1,4-dihydropyridine-3,5-dicarboxylate
diethyl 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-1-methyl-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
| Compound ID: | K837-0692 |
| Compound Name: | diethyl 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-1-methyl-1,4-dihydropyridine-3,5-dicarboxylate |
| Molecular Weight: | 420.42 |
| Molecular Formula: | C20 H24 N2 O8 |
| Smiles: | CCOC(C1=CN(C)C=C(C1c1cc(c(c(c1)OCC)O)[N+]([O-])=O)C(=O)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0672 |
| logD: | 2.8879 |
| logSw: | -3.2853 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.143 |
| InChI Key: | XYMPFOQMYKNUCE-UHFFFAOYSA-N |