N-(4-acetylphenyl)-2-{[5-(1-benzofuran-2-yl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-acetylphenyl)-2-{[5-(1-benzofuran-2-yl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(4-acetylphenyl)-2-{[5-(1-benzofuran-2-yl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | J047-0364 |
| Compound Name: | N-(4-acetylphenyl)-2-{[5-(1-benzofuran-2-yl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 482.56 |
| Molecular Formula: | C27 H22 N4 O3 S |
| Smiles: | CC(c1ccc(cc1)NC(CSc1nnc(c2cc3ccccc3o2)n1c1ccc(C)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3888 |
| logD: | 5.3886 |
| logSw: | -6.0934 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.981 |
| InChI Key: | ZZTKVUDPNSYWRS-UHFFFAOYSA-N |