4-(2-{[5-(5-chloro-1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoic acid
Chemical Structure Depiction of
4-(2-{[5-(5-chloro-1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoic acid
4-(2-{[5-(5-chloro-1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoic acid
Compound characteristics
| Compound ID: | F019-5639 |
| Compound Name: | 4-(2-{[5-(5-chloro-1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoic acid |
| Molecular Weight: | 442.88 |
| Molecular Formula: | C20 H15 Cl N4 O4 S |
| Smiles: | Cn1c(c2cc3cc(ccc3o2)[Cl])nnc1SCC(Nc1ccc(cc1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2324 |
| logD: | 1.8372 |
| logSw: | -4.3159 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.901 |
| InChI Key: | SMHYWHWJYPWLAN-UHFFFAOYSA-N |