1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}-N'-[(3,4-dimethoxyphenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
Chemical Structure Depiction of
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}-N'-[(3,4-dimethoxyphenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}-N'-[(3,4-dimethoxyphenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
Compound characteristics
| Compound ID: | 8008-8209 |
| Compound Name: | 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}-N'-[(3,4-dimethoxyphenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide |
| Molecular Weight: | 521.51 |
| Molecular Formula: | C22 H19 N9 O5 S |
| Smiles: | COc1ccc(/C=N/NC(c2c(CSc3nc4ccccc4o3)n(c3c(N)non3)nn2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.144 |
| logD: | 3.1345 |
| logSw: | -3.3604 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 149.808 |
| InChI Key: | YWPAMFMBOCHGQJ-UHFFFAOYSA-N |