2-{[5-(1-benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-{[5-(1-benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide
2-{[5-(1-benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | J047-0350 |
| Compound Name: | 2-{[5-(1-benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide |
| Molecular Weight: | 456.52 |
| Molecular Formula: | C25 H20 N4 O3 S |
| Smiles: | COc1cccc(c1)NC(CSc1nnc(c2cc3ccccc3o2)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3682 |
| logD: | 5.3682 |
| logSw: | -6.1727 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.699 |
| InChI Key: | HENQVKSTYOXWOI-UHFFFAOYSA-N |