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
Available: 186 mg
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mg
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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
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