5-nitro-3-oxo-N-phenyl-2-[3-(trifluoromethyl)phenyl]-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
5-nitro-3-oxo-N-phenyl-2-[3-(trifluoromethyl)phenyl]-2H-1lambda~5~,2,3-triazol-4-amine
5-nitro-3-oxo-N-phenyl-2-[3-(trifluoromethyl)phenyl]-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C301-1409 |
| Compound Name: | 5-nitro-3-oxo-N-phenyl-2-[3-(trifluoromethyl)phenyl]-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 365.27 |
| Molecular Formula: | C15 H10 F3 N5 O3 |
| Smiles: | c1ccc(cc1)Nc1c(nn(c2cccc(c2)C(F)(F)F)[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.6303 |
| logD: | 3.6303 |
| logSw: | -4.0336 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.084 |
| InChI Key: | MBYLTMGZUDSDBH-UHFFFAOYSA-N |