1-{[6-(phenoxymethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzotriazole
Chemical Structure Depiction of
1-{[6-(phenoxymethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzotriazole
1-{[6-(phenoxymethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzotriazole
Compound characteristics
| Compound ID: | D064-0401 |
| Compound Name: | 1-{[6-(phenoxymethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzotriazole |
| Molecular Weight: | 363.4 |
| Molecular Formula: | C17 H13 N7 O S |
| Smiles: | C(c1nnc2n1nc(COc1ccccc1)s2)n1c2ccccc2nn1 |
| Stereo: | ACHIRAL |
| logP: | 1.8606 |
| logD: | 1.8595 |
| logSw: | -1.9963 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 68.39 |
| InChI Key: | ISIOXVRMGJKTOA-UHFFFAOYSA-N |