2-(2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzamide
Chemical Structure Depiction of
2-(2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzamide
2-(2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzamide
Compound characteristics
| Compound ID: | J047-0460 |
| Compound Name: | 2-(2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzamide |
| Molecular Weight: | 407.45 |
| Molecular Formula: | C20 H17 N5 O3 S |
| Smiles: | Cn1c(c2cc3ccccc3o2)nnc1SCC(Nc1ccccc1C(N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4381 |
| logD: | 2.4379 |
| logSw: | -3.2588 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.854 |
| InChI Key: | BXYQRIRJVQWWTI-UHFFFAOYSA-N |