N-{3-nitro-5-[(pyridin-3-yl)oxy]phenyl}-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide
Chemical Structure Depiction of
N-{3-nitro-5-[(pyridin-3-yl)oxy]phenyl}-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide
N-{3-nitro-5-[(pyridin-3-yl)oxy]phenyl}-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide
Compound characteristics
| Compound ID: | 1762-0139 |
| Compound Name: | N-{3-nitro-5-[(pyridin-3-yl)oxy]phenyl}-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide |
| Molecular Weight: | 385.29 |
| Molecular Formula: | C15 H11 N7 O6 |
| Smiles: | C(C(Nc1cc(cc(c1)Oc1cccnc1)[N+]([O-])=O)=O)n1cnc(n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.9269 |
| logD: | 1.9261 |
| logSw: | -2.3652 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 129.431 |
| InChI Key: | YBGSSYVJHSMQMK-UHFFFAOYSA-N |