2-bromo-N-[3-(3-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide
Chemical Structure Depiction of
2-bromo-N-[3-(3-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide
2-bromo-N-[3-(3-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide
Compound characteristics
| Compound ID: | G952-0359 |
| Compound Name: | 2-bromo-N-[3-(3-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide |
| Molecular Weight: | 414.28 |
| Molecular Formula: | C17 H12 Br N5 O S |
| Smiles: | Cc1cccc(c1)c1nnc2n1nc(NC(c1ccccc1[Br])=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.9813 |
| logD: | 3.7836 |
| logSw: | -4.2047 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.125 |
| InChI Key: | XBOKZNXNTDKCCU-UHFFFAOYSA-N |