N-{1-[(2-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-4-nitrobenzamide
Chemical Structure Depiction of
N-{1-[(2-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-4-nitrobenzamide
N-{1-[(2-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-4-nitrobenzamide
Compound characteristics
| Compound ID: | Y502-1475 |
| Compound Name: | N-{1-[(2-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-4-nitrobenzamide |
| Molecular Weight: | 341.3 |
| Molecular Formula: | C16 H12 F N5 O3 |
| Smiles: | C(c1ccccc1F)n1cnc(NC(c2ccc(cc2)[N+]([O-])=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.9381 |
| logD: | 2.7662 |
| logSw: | -3.47 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.933 |
| InChI Key: | NJGLTYFKGIOSFK-UHFFFAOYSA-N |