2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-cyanophenyl)acetamide
Chemical Structure Depiction of
2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-cyanophenyl)acetamide
2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-cyanophenyl)acetamide
Compound characteristics
| Compound ID: | J047-0064 |
| Compound Name: | 2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-cyanophenyl)acetamide |
| Molecular Weight: | 403.46 |
| Molecular Formula: | C21 H17 N5 O2 S |
| Smiles: | CCn1c(c2cc3ccccc3o2)nnc1SCC(Nc1ccc(C#N)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1196 |
| logD: | 4.1193 |
| logSw: | -4.2061 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.464 |
| InChI Key: | MQZSCZTXJUZHPO-UHFFFAOYSA-N |