3-(2-{[5-(1-benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoic acid
Chemical Structure Depiction of
3-(2-{[5-(1-benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoic acid
3-(2-{[5-(1-benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoic acid
Compound characteristics
| Compound ID: | J047-0586 |
| Compound Name: | 3-(2-{[5-(1-benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoic acid |
| Molecular Weight: | 470.51 |
| Molecular Formula: | C25 H18 N4 O4 S |
| Smiles: | C(C(Nc1cccc(c1)C(O)=O)=O)Sc1nnc(c2cc3ccccc3o2)n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.4257 |
| logD: | 2.5399 |
| logSw: | -6.3797 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.563 |
| InChI Key: | ANPMGJDEQBURJY-UHFFFAOYSA-N |