4-bromo-N-[3-(4-ethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide
Chemical Structure Depiction of
4-bromo-N-[3-(4-ethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide
4-bromo-N-[3-(4-ethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide
Compound characteristics
| Compound ID: | G952-3136 |
| Compound Name: | 4-bromo-N-[3-(4-ethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide |
| Molecular Weight: | 444.31 |
| Molecular Formula: | C18 H14 Br N5 O2 S |
| Smiles: | CCOc1ccc(cc1)c1nnc2n1nc(NC(c1ccc(cc1)[Br])=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 4.5056 |
| logD: | 4.3078 |
| logSw: | -4.1154 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.249 |
| InChI Key: | KJYTUPHRUWYZAL-UHFFFAOYSA-N |