2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-bromo-2,3-dimethylphenyl)acetamide
Chemical Structure Depiction of
2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-bromo-2,3-dimethylphenyl)acetamide
2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-bromo-2,3-dimethylphenyl)acetamide
Compound characteristics
| Compound ID: | J047-0485 |
| Compound Name: | 2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-bromo-2,3-dimethylphenyl)acetamide |
| Molecular Weight: | 485.4 |
| Molecular Formula: | C22 H21 Br N4 O2 S |
| Smiles: | CCn1c(c2cc3ccccc3o2)nnc1SCC(Nc1ccc(c(C)c1C)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.4576 |
| logD: | 5.4575 |
| logSw: | -6.0931 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.71 |
| InChI Key: | WSWXTIGTXPAAJH-UHFFFAOYSA-N |