N-[(2-chlorophenyl)methyl]-5-nitro-3-oxo-2-[3-(trifluoromethyl)phenyl]-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-5-nitro-3-oxo-2-[3-(trifluoromethyl)phenyl]-2H-1lambda~5~,2,3-triazol-4-amine
N-[(2-chlorophenyl)methyl]-5-nitro-3-oxo-2-[3-(trifluoromethyl)phenyl]-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C301-1556 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-5-nitro-3-oxo-2-[3-(trifluoromethyl)phenyl]-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 413.74 |
| Molecular Formula: | C16 H11 Cl F3 N5 O3 |
| Smiles: | C(c1ccccc1[Cl])Nc1c(nn(c2cccc(c2)C(F)(F)F)[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1738 |
| logD: | 4.1738 |
| logSw: | -4.5173 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.406 |
| InChI Key: | VLCMQCTULOCAAL-UHFFFAOYSA-N |