5-(2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-2-chlorobenzoic acid
Chemical Structure Depiction of
5-(2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-2-chlorobenzoic acid
5-(2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-2-chlorobenzoic acid
Compound characteristics
Compound ID: | J047-0074 |
Compound Name: | 5-(2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-2-chlorobenzoic acid |
Molecular Weight: | 456.91 |
Molecular Formula: | C21 H17 Cl N4 O4 S |
Smiles: | CCn1c(c2cc3ccccc3o2)nnc1SCC(Nc1ccc(c(c1)C(O)=O)[Cl])=O |
Stereo: | ACHIRAL |
logP: | 4.8092 |
logD: | 1.0061 |
logSw: | -4.7161 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 83.816 |
InChI Key: | LCERKPNMCBFARS-UHFFFAOYSA-N |