4-(2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-3-methylbenzoic acid
Chemical Structure Depiction of
4-(2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-3-methylbenzoic acid
4-(2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-3-methylbenzoic acid
Compound characteristics
| Compound ID: | J047-0515 |
| Compound Name: | 4-(2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-3-methylbenzoic acid |
| Molecular Weight: | 436.49 |
| Molecular Formula: | C22 H20 N4 O4 S |
| Smiles: | CCn1c(c2cc3ccccc3o2)nnc1SCC(Nc1ccc(cc1C)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2858 |
| logD: | 2.3798 |
| logSw: | -4.163 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.118 |
| InChI Key: | JAZIBGDKJNGQHZ-UHFFFAOYSA-N |