2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | J047-0027 |
| Compound Name: | 2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 288.33 |
| Molecular Formula: | C13 H12 N4 O2 S |
| Smiles: | Cn1c(c2cc3ccccc3o2)nnc1SCC(N)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6896 |
| logD: | 1.6896 |
| logSw: | -2.5236 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.003 |
| InChI Key: | QYBTZHNVWHYVIZ-UHFFFAOYSA-N |