4-(2-{[5-(1-benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-3-methylbenzoic acid
Chemical Structure Depiction of
4-(2-{[5-(1-benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-3-methylbenzoic acid
4-(2-{[5-(1-benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-3-methylbenzoic acid
Compound characteristics
| Compound ID: | J047-0595 |
| Compound Name: | 4-(2-{[5-(1-benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-3-methylbenzoic acid |
| Molecular Weight: | 484.53 |
| Molecular Formula: | C26 H20 N4 O4 S |
| Smiles: | Cc1cc(ccc1NC(CSc1nnc(c2cc3ccccc3o2)n1c1ccccc1)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1223 |
| logD: | 3.2164 |
| logSw: | -5.4284 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.865 |
| InChI Key: | XPXVUDJPDSQHCE-UHFFFAOYSA-N |