1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(4-oxo-4H-1-benzopyran-3-yl)methylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide
Chemical Structure Depiction of
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(4-oxo-4H-1-benzopyran-3-yl)methylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(4-oxo-4H-1-benzopyran-3-yl)methylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide
Compound characteristics
| Compound ID: | 2130-0025 |
| Compound Name: | 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(4-oxo-4H-1-benzopyran-3-yl)methylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide |
| Molecular Weight: | 442.39 |
| Molecular Formula: | C21 H14 N8 O4 |
| Smiles: | C1=C(/C=N/NC(c2c(c3ccccc3)n(c3c(N)non3)nn2)=O)C(c2ccccc2O1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4846 |
| logD: | 2.4801 |
| logSw: | -3.1326 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 138.296 |
| InChI Key: | KDUSTSPFQCDUQQ-UHFFFAOYSA-N |