5-(2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-2-chlorobenzoic acid
Chemical Structure Depiction of
5-(2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-2-chlorobenzoic acid
5-(2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-2-chlorobenzoic acid
Compound characteristics
Compound ID: | J047-0032 |
Compound Name: | 5-(2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-2-chlorobenzoic acid |
Molecular Weight: | 442.88 |
Molecular Formula: | C20 H15 Cl N4 O4 S |
Smiles: | Cn1c(c2cc3ccccc3o2)nnc1SCC(Nc1ccc(c(c1)C(O)=O)[Cl])=O |
Stereo: | ACHIRAL |
logP: | 4.1947 |
logD: | 0.3916 |
logSw: | -4.3296 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 84.901 |
InChI Key: | AXKZRWGBCUBVQI-UHFFFAOYSA-N |