1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(3,4-dimethoxyphenyl)methylidene]-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide
Chemical Structure Depiction of
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(3,4-dimethoxyphenyl)methylidene]-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(3,4-dimethoxyphenyl)methylidene]-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide
Compound characteristics
| Compound ID: | 8007-1895 |
| Compound Name: | 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(3,4-dimethoxyphenyl)methylidene]-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide |
| Molecular Weight: | 479.41 |
| Molecular Formula: | C20 H17 N9 O6 |
| Smiles: | COc1ccc(/C=N/NC(c2c(c3ccc(cc3)[N+]([O-])=O)n(c3c(N)non3)nn2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.3487 |
| logD: | 2.3485 |
| logSw: | -2.988 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 166.045 |
| InChI Key: | XKIMDDLRVDDWSX-UHFFFAOYSA-N |