1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(piperidin-1-yl)methyl]-N'-[4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-ylidene]-1H-1,2,3-triazole-4-carbohydrazide
Chemical Structure Depiction of
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(piperidin-1-yl)methyl]-N'-[4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-ylidene]-1H-1,2,3-triazole-4-carbohydrazide
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(piperidin-1-yl)methyl]-N'-[4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-ylidene]-1H-1,2,3-triazole-4-carbohydrazide
Compound characteristics
| Compound ID: | 8008-7744 |
| Compound Name: | 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(piperidin-1-yl)methyl]-N'-[4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-ylidene]-1H-1,2,3-triazole-4-carbohydrazide |
| Molecular Weight: | 481.6 |
| Molecular Formula: | C24 H35 N9 O2 |
| Smiles: | CC1CCCC(C)(C)C=1/C=C/C(/C)=N/NC(c1c(CN2CCCCC2)n(c2c(N)non2)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7368 |
| logD: | 3.1487 |
| logSw: | -3.9259 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 121.449 |
| InChI Key: | XBVDHAKNNJGXQV-UHFFFAOYSA-N |