N-(4-acetylphenyl)-2-{[5-(1-benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-acetylphenyl)-2-{[5-(1-benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(4-acetylphenyl)-2-{[5-(1-benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | J047-0332 |
| Compound Name: | N-(4-acetylphenyl)-2-{[5-(1-benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 468.53 |
| Molecular Formula: | C26 H20 N4 O3 S |
| Smiles: | CC(c1ccc(cc1)NC(CSc1nnc(c2cc3ccccc3o2)n1c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8438 |
| logD: | 4.8437 |
| logSw: | -5.1634 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.981 |
| InChI Key: | WKRXDOMLLCSDDZ-UHFFFAOYSA-N |