N-[(4-fluorophenyl)methyl]-2-(2-methylphenyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-2-(2-methylphenyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine
N-[(4-fluorophenyl)methyl]-2-(2-methylphenyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine
Compound characteristics
| Compound ID: | C360-0082 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-2-(2-methylphenyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine |
| Molecular Weight: | 343.32 |
| Molecular Formula: | C16 H14 F N5 O3 |
| Smiles: | Cc1ccccc1n1nc(c(NCc2ccc(cc2)F)[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.954 |
| logD: | 2.954 |
| logSw: | -3.2525 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.105 |
| InChI Key: | VZZFYYVQURAQOH-UHFFFAOYSA-N |