3-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-N'-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-1,2,4-oxadiazole-5-carbohydrazide
Chemical Structure Depiction of
3-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-N'-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-1,2,4-oxadiazole-5-carbohydrazide
3-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-N'-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-1,2,4-oxadiazole-5-carbohydrazide
Compound characteristics
| Compound ID: | Y501-5059 |
| Compound Name: | 3-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-N'-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-1,2,4-oxadiazole-5-carbohydrazide |
| Molecular Weight: | 467.32 |
| Molecular Formula: | C17 H12 F3 N7 O6 |
| Smiles: | Cc1cc(C(F)(F)F)nn1Cc1nc(C(N/N=C/c2cc3c(cc2[N+]([O-])=O)OCO3)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 2.2608 |
| logD: | 2.1666 |
| logSw: | -2.7536 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 132.619 |
| InChI Key: | JCZYPMLSSYZZGS-UHFFFAOYSA-N |