N-[(2-methoxyphenyl)methyl]-5-nitro-3-oxo-2-[3-(trifluoromethyl)phenyl]-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
N-[(2-methoxyphenyl)methyl]-5-nitro-3-oxo-2-[3-(trifluoromethyl)phenyl]-2H-1lambda~5~,2,3-triazol-4-amine
N-[(2-methoxyphenyl)methyl]-5-nitro-3-oxo-2-[3-(trifluoromethyl)phenyl]-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C301-1410 |
| Compound Name: | N-[(2-methoxyphenyl)methyl]-5-nitro-3-oxo-2-[3-(trifluoromethyl)phenyl]-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 409.32 |
| Molecular Formula: | C17 H14 F3 N5 O4 |
| Smiles: | COc1ccccc1CNc1c(nn(c2cccc(c2)C(F)(F)F)[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.6131 |
| logD: | 3.6131 |
| logSw: | -3.8494 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.036 |
| InChI Key: | HAGUWYXJFLTKIF-UHFFFAOYSA-N |