N-nitro-1-[2-(4-{2-[1-(nitroazanidyl)-4H-1,2,4-triazol-1-ium-4-yl]acetamido}anilino)-2-oxoethyl]-1H-1,2,4-triazol-4-ium-4-aminide
Chemical Structure Depiction of
N-nitro-1-[2-(4-{2-[1-(nitroazanidyl)-4H-1,2,4-triazol-1-ium-4-yl]acetamido}anilino)-2-oxoethyl]-1H-1,2,4-triazol-4-ium-4-aminide
N-nitro-1-[2-(4-{2-[1-(nitroazanidyl)-4H-1,2,4-triazol-1-ium-4-yl]acetamido}anilino)-2-oxoethyl]-1H-1,2,4-triazol-4-ium-4-aminide
Compound characteristics
| Compound ID: | 8009-9773 |
| Compound Name: | N-nitro-1-[2-(4-{2-[1-(nitroazanidyl)-4H-1,2,4-triazol-1-ium-4-yl]acetamido}anilino)-2-oxoethyl]-1H-1,2,4-triazol-4-ium-4-aminide |
| Molecular Weight: | 446.34 |
| Molecular Formula: | C14 H14 N12 O6 |
| Smiles: | C(C(Nc1ccc(cc1)NC(Cn1c[n+](cn1)[N-][N+]([O-])=O)=O)=O)n1cn[n+](c1)[N-][N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | -1.8057 |
| logD: | -1.8057 |
| logSw: | -2.043 |
| Hydrogen bond acceptors count: | 16 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 179.029 |
| InChI Key: | HQBIDBSVJYJHKB-UHFFFAOYSA-N |