2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-tert-butyl-2-hydroxyphenyl)acetamide
Chemical Structure Depiction of
2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-tert-butyl-2-hydroxyphenyl)acetamide
2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-tert-butyl-2-hydroxyphenyl)acetamide
Compound characteristics
| Compound ID: | J047-0085 |
| Compound Name: | 2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-tert-butyl-2-hydroxyphenyl)acetamide |
| Molecular Weight: | 450.56 |
| Molecular Formula: | C24 H26 N4 O3 S |
| Smiles: | CCn1c(c2cc3ccccc3o2)nnc1SCC(Nc1cc(ccc1O)C(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.654 |
| logD: | 5.6538 |
| logSw: | -5.9101 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.258 |
| InChI Key: | ZWQYDFPFAHHZAG-UHFFFAOYSA-N |