1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(azepan-1-yl)methyl]-N'-[(4-butoxyphenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
Chemical Structure Depiction of
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(azepan-1-yl)methyl]-N'-[(4-butoxyphenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(azepan-1-yl)methyl]-N'-[(4-butoxyphenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
Compound characteristics
| Compound ID: | 8007-7375 |
| Compound Name: | 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(azepan-1-yl)methyl]-N'-[(4-butoxyphenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide |
| Molecular Weight: | 481.56 |
| Molecular Formula: | C23 H31 N9 O3 |
| Smiles: | CCCCOc1ccc(/C=N/NC(c2c(CN3CCCCCC3)n(c3c(N)non3)nn2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.6066 |
| logD: | 3.0373 |
| logSw: | -3.5443 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 129.637 |
| InChI Key: | WBLDBFJPEXWUJJ-UHFFFAOYSA-N |