N-(3-fluoro-4-methylphenyl)-5-nitro-3-oxo-2-[3-(trifluoromethyl)phenyl]-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
N-(3-fluoro-4-methylphenyl)-5-nitro-3-oxo-2-[3-(trifluoromethyl)phenyl]-2H-1lambda~5~,2,3-triazol-4-amine
N-(3-fluoro-4-methylphenyl)-5-nitro-3-oxo-2-[3-(trifluoromethyl)phenyl]-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C301-1691 |
| Compound Name: | N-(3-fluoro-4-methylphenyl)-5-nitro-3-oxo-2-[3-(trifluoromethyl)phenyl]-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 397.29 |
| Molecular Formula: | C16 H11 F4 N5 O3 |
| Smiles: | Cc1ccc(cc1F)Nc1c(nn(c2cccc(c2)C(F)(F)F)[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4718 |
| logD: | 4.4718 |
| logSw: | -4.4507 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.084 |
| InChI Key: | VENJJRJKTWHQQO-UHFFFAOYSA-N |