5-{4-[4-(ethoxycarbonyl)piperidin-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-[4-(ethoxycarbonyl)piperidin-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-[4-(ethoxycarbonyl)piperidin-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: | 8018-0792 |
| Compound Name: | 5-{4-[4-(ethoxycarbonyl)piperidin-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: | 334.29 |
| Molecular Formula: | C12 H14 N8 O4 |
| Smiles: | CCOC(C1CCN(CC1)c1c(non1)[N+]1[N-]c2c(N=1)non2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1814 |
| logD: | 3.1814 |
| logSw: | -2.9302 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 122.9 |
| InChI Key: | DSTLZGQBTLJPMC-UHFFFAOYSA-N |