N-(2-methoxyethyl)-5-nitro-3-oxo-2-[3-(trifluoromethyl)phenyl]-2H-1,2,3lambda~5~-triazol-4-amine
Chemical Structure Depiction of
N-(2-methoxyethyl)-5-nitro-3-oxo-2-[3-(trifluoromethyl)phenyl]-2H-1,2,3lambda~5~-triazol-4-amine
N-(2-methoxyethyl)-5-nitro-3-oxo-2-[3-(trifluoromethyl)phenyl]-2H-1,2,3lambda~5~-triazol-4-amine
Compound characteristics
| Compound ID: | C301-1558 |
| Compound Name: | N-(2-methoxyethyl)-5-nitro-3-oxo-2-[3-(trifluoromethyl)phenyl]-2H-1,2,3lambda~5~-triazol-4-amine |
| Molecular Weight: | 347.25 |
| Molecular Formula: | C12 H12 F3 N5 O4 |
| Smiles: | COCCNc1c(nn(c2cccc(c2)C(F)(F)F)[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.3077 |
| logD: | 2.3077 |
| logSw: | -2.6373 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.861 |
| InChI Key: | HSJUYNUCSIEBCS-UHFFFAOYSA-N |