1-{[6-(2H-1,3-benzodioxol-5-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzotriazole
Chemical Structure Depiction of
1-{[6-(2H-1,3-benzodioxol-5-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzotriazole
1-{[6-(2H-1,3-benzodioxol-5-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzotriazole
Compound characteristics
| Compound ID: | D221-0305 |
| Compound Name: | 1-{[6-(2H-1,3-benzodioxol-5-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzotriazole |
| Molecular Weight: | 377.38 |
| Molecular Formula: | C17 H11 N7 O2 S |
| Smiles: | C(c1nnc2n1nc(c1ccc3c(c1)OCO3)s2)n1c2ccccc2nn1 |
| Stereo: | ACHIRAL |
| logP: | 2.0579 |
| logD: | 2.0568 |
| logSw: | -2.5201 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 77.511 |
| InChI Key: | OMJCQXZLUQBYND-UHFFFAOYSA-N |