3-(2-{[5-(1-benzofuran-2-yl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoic acid
Chemical Structure Depiction of
3-(2-{[5-(1-benzofuran-2-yl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoic acid
3-(2-{[5-(1-benzofuran-2-yl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoic acid
Compound characteristics
| Compound ID: | J047-0615 |
| Compound Name: | 3-(2-{[5-(1-benzofuran-2-yl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoic acid |
| Molecular Weight: | 484.53 |
| Molecular Formula: | C26 H20 N4 O4 S |
| Smiles: | Cc1ccc(cc1)n1c(c2cc3ccccc3o2)nnc1SCC(Nc1cccc(c1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9706 |
| logD: | 3.0848 |
| logSw: | -6.2084 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.563 |
| InChI Key: | LJFRZLXHDCPEKL-UHFFFAOYSA-N |