N'-[1-(3-nitro-1H-1,2,4-triazol-1-yl)propan-2-ylidene]-2-(2,4,6-trichlorophenoxy)acetohydrazide
Chemical Structure Depiction of
N'-[1-(3-nitro-1H-1,2,4-triazol-1-yl)propan-2-ylidene]-2-(2,4,6-trichlorophenoxy)acetohydrazide
N'-[1-(3-nitro-1H-1,2,4-triazol-1-yl)propan-2-ylidene]-2-(2,4,6-trichlorophenoxy)acetohydrazide
Compound characteristics
| Compound ID: | 1981-1329 |
| Compound Name: | N'-[1-(3-nitro-1H-1,2,4-triazol-1-yl)propan-2-ylidene]-2-(2,4,6-trichlorophenoxy)acetohydrazide |
| Molecular Weight: | 421.62 |
| Molecular Formula: | C13 H11 Cl3 N6 O4 |
| Smiles: | C/C(Cn1cnc(n1)[N+]([O-])=O)=N/NC(COc1c(cc(cc1[Cl])[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.9868 |
| logD: | 2.9863 |
| logSw: | -3.5337 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.049 |
| InChI Key: | CYRFHNRSAQGCCE-UHFFFAOYSA-N |