ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(1H-benzotriazol-1-yl)methyl]-1H-1,2,3-triazole-4-carboxylate
Chemical Structure Depiction of
ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(1H-benzotriazol-1-yl)methyl]-1H-1,2,3-triazole-4-carboxylate
ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(1H-benzotriazol-1-yl)methyl]-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
| Compound ID: | 8008-3605 |
| Compound Name: | ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(1H-benzotriazol-1-yl)methyl]-1H-1,2,3-triazole-4-carboxylate |
| Molecular Weight: | 355.31 |
| Molecular Formula: | C14 H13 N9 O3 |
| Smiles: | CCOC(c1c(Cn2c3ccccc3nn2)n(c2c(N)non2)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8244 |
| logD: | 0.8244 |
| logSw: | -1.552 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 129.019 |
| InChI Key: | YQTGFLMULQDSMU-UHFFFAOYSA-N |