1-[(6-benzyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)methyl]-1H-benzotriazole
Chemical Structure Depiction of
1-[(6-benzyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)methyl]-1H-benzotriazole
1-[(6-benzyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)methyl]-1H-benzotriazole
Compound characteristics
| Compound ID: | D064-0397 |
| Compound Name: | 1-[(6-benzyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)methyl]-1H-benzotriazole |
| Molecular Weight: | 347.4 |
| Molecular Formula: | C17 H13 N7 S |
| Smiles: | C(c1ccccc1)c1nn2c(Cn3c4ccccc4nn3)nnc2s1 |
| Stereo: | ACHIRAL |
| logP: | 2.078 |
| logD: | 2.0769 |
| logSw: | -1.9807 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 60.891 |
| InChI Key: | MNNKRGMSLHQOQF-UHFFFAOYSA-N |