2-bromo-N-(3-phenyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzamide
Chemical Structure Depiction of
2-bromo-N-(3-phenyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzamide
2-bromo-N-(3-phenyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzamide
Compound characteristics
| Compound ID: | G952-0357 |
| Compound Name: | 2-bromo-N-(3-phenyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzamide |
| Molecular Weight: | 400.25 |
| Molecular Formula: | C16 H10 Br N5 O S |
| Smiles: | c1ccc(cc1)c1nnc2n1nc(NC(c1ccccc1[Br])=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.5069 |
| logD: | 3.3092 |
| logSw: | -3.9291 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.125 |
| InChI Key: | LXSMSCOFKCRIDK-UHFFFAOYSA-N |