2-(3-nitro-1H-1,2,4-triazol-1-yl)-N-{3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl}acetamide
Chemical Structure Depiction of
2-(3-nitro-1H-1,2,4-triazol-1-yl)-N-{3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl}acetamide
2-(3-nitro-1H-1,2,4-triazol-1-yl)-N-{3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl}acetamide
Compound characteristics
| Compound ID: | 1762-0140 |
| Compound Name: | 2-(3-nitro-1H-1,2,4-triazol-1-yl)-N-{3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl}acetamide |
| Molecular Weight: | 452.3 |
| Molecular Formula: | C17 H11 F3 N6 O6 |
| Smiles: | C(C(Nc1cc(cc(c1)Oc1cccc(c1)C(F)(F)F)[N+]([O-])=O)=O)n1cnc(n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9251 |
| logD: | 3.9244 |
| logSw: | -4.194 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 119.913 |
| InChI Key: | JSYMGOGTVXHOOJ-UHFFFAOYSA-N |