diethyl 1-[(4-fluorophenyl)methyl]-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
diethyl 1-[(4-fluorophenyl)methyl]-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
diethyl 1-[(4-fluorophenyl)methyl]-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
| Compound ID: | K837-1557 |
| Compound Name: | diethyl 1-[(4-fluorophenyl)methyl]-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate |
| Molecular Weight: | 500.48 |
| Molecular Formula: | C25 H25 F N2 O8 |
| Smiles: | CCOC(C1=CN(Cc2ccc(cc2)F)C=C(C1c1cc(c(c(c1)OC)O)[N+]([O-])=O)C(=O)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0077 |
| logD: | 3.7118 |
| logSw: | -4.1797 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.627 |
| InChI Key: | LJKCQRABDHLOBX-UHFFFAOYSA-N |