5-[4-(azepan-1-yl)-1,2,5-oxadiazol-3-yl][1,2,3]triazolo[4,5-c][1,2,5]oxadiazol-5-ium-4-ide
Chemical Structure Depiction of
5-[4-(azepan-1-yl)-1,2,5-oxadiazol-3-yl][1,2,3]triazolo[4,5-c][1,2,5]oxadiazol-5-ium-4-ide
5-[4-(azepan-1-yl)-1,2,5-oxadiazol-3-yl][1,2,3]triazolo[4,5-c][1,2,5]oxadiazol-5-ium-4-ide
Compound characteristics
| Compound ID: | 8002-0601 |
| Compound Name: | 5-[4-(azepan-1-yl)-1,2,5-oxadiazol-3-yl][1,2,3]triazolo[4,5-c][1,2,5]oxadiazol-5-ium-4-ide |
| Molecular Weight: | 276.25 |
| Molecular Formula: | C10 H12 N8 O2 |
| Smiles: | C1CCCN(CC1)c1c(non1)[N+]1[N-]c2c(N=1)non2 |
| Stereo: | ACHIRAL |
| logP: | 3.7648 |
| logD: | 3.7648 |
| logSw: | -3.8621 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 102.478 |
| InChI Key: | OJPPJBDZTFJGGP-UHFFFAOYSA-N |