N-(4-acetylphenyl)-2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-acetylphenyl)-2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(4-acetylphenyl)-2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | J047-0254 |
| Compound Name: | N-(4-acetylphenyl)-2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 420.49 |
| Molecular Formula: | C22 H20 N4 O3 S |
| Smiles: | CCn1c(c2cc3ccccc3o2)nnc1SCC(Nc1ccc(cc1)C(C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0073 |
| logD: | 4.0071 |
| logSw: | -4.132 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.234 |
| InChI Key: | PQVIMNDKBWGNJF-UHFFFAOYSA-N |