N-{1-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-3-methyl-4-nitrobenzamide
Chemical Structure Depiction of
N-{1-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-3-methyl-4-nitrobenzamide
N-{1-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-3-methyl-4-nitrobenzamide
Compound characteristics
| Compound ID: | Y205-4424 |
| Compound Name: | N-{1-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-3-methyl-4-nitrobenzamide |
| Molecular Weight: | 355.33 |
| Molecular Formula: | C17 H14 F N5 O3 |
| Smiles: | Cc1cc(ccc1[N+]([O-])=O)C(Nc1ncn(Cc2ccc(cc2)F)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1506 |
| logD: | 2.7231 |
| logSw: | -3.3334 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.632 |
| InChI Key: | DSMXLKUNUJBTMG-UHFFFAOYSA-N |