diethyl 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-1-[(4-fluorophenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
diethyl 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-1-[(4-fluorophenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
diethyl 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-1-[(4-fluorophenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
| Compound ID: | K837-0977 |
| Compound Name: | diethyl 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-1-[(4-fluorophenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate |
| Molecular Weight: | 514.51 |
| Molecular Formula: | C26 H27 F N2 O8 |
| Smiles: | CCOC(C1=CN(Cc2ccc(cc2)F)C=C(C1c1cc(c(c(c1)OCC)O)[N+]([O-])=O)C(=O)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7132 |
| logD: | 4.5339 |
| logSw: | -4.4131 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.206 |
| InChI Key: | HJIHIGASANNGBO-UHFFFAOYSA-N |