N-[3-(3-methylphenoxy)-5-nitrophenyl]-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide
Chemical Structure Depiction of
N-[3-(3-methylphenoxy)-5-nitrophenyl]-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide
N-[3-(3-methylphenoxy)-5-nitrophenyl]-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide
Compound characteristics
| Compound ID: | 1890-1181 |
| Compound Name: | N-[3-(3-methylphenoxy)-5-nitrophenyl]-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide |
| Molecular Weight: | 398.33 |
| Molecular Formula: | C17 H14 N6 O6 |
| Smiles: | Cc1cccc(c1)Oc1cc(cc(c1)[N+]([O-])=O)NC(Cn1cnc(n1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5933 |
| logD: | 3.5925 |
| logSw: | -3.8549 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 119.913 |
| InChI Key: | XHOYPAKCFYMKRW-UHFFFAOYSA-N |