N-(4-bromophenyl)-5-nitro-3-oxo-2-[3-(trifluoromethyl)phenyl]-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
N-(4-bromophenyl)-5-nitro-3-oxo-2-[3-(trifluoromethyl)phenyl]-2H-1lambda~5~,2,3-triazol-4-amine
N-(4-bromophenyl)-5-nitro-3-oxo-2-[3-(trifluoromethyl)phenyl]-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
Compound ID: | C301-1554 |
Compound Name: | N-(4-bromophenyl)-5-nitro-3-oxo-2-[3-(trifluoromethyl)phenyl]-2H-1lambda~5~,2,3-triazol-4-amine |
Molecular Weight: | 444.16 |
Molecular Formula: | C15 H9 Br F3 N5 O3 |
Smiles: | c1cc(cc(c1)n1nc(c(Nc2ccc(cc2)[Br])[n+]1[O-])[N+]([O-])=O)C(F)(F)F |
Stereo: | ACHIRAL |
logP: | 4.6559 |
logD: | 4.6559 |
logSw: | -4.7704 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 76.084 |
InChI Key: | LZNHKGFQTUYTGL-UHFFFAOYSA-N |