1-{[6-(1-benzofuran-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzotriazole
Chemical Structure Depiction of
1-{[6-(1-benzofuran-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzotriazole
1-{[6-(1-benzofuran-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzotriazole
Compound characteristics
| Compound ID: | D064-0417 |
| Compound Name: | 1-{[6-(1-benzofuran-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzotriazole |
| Molecular Weight: | 373.39 |
| Molecular Formula: | C18 H11 N7 O S |
| Smiles: | C(c1nnc2n1nc(c1cc3ccccc3o1)s2)n1c2ccccc2nn1 |
| Stereo: | ACHIRAL |
| logP: | 2.9529 |
| logD: | 2.9519 |
| logSw: | -3.2872 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 68.688 |
| InChI Key: | UJBBMHLKYCQUNL-UHFFFAOYSA-N |