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2-{2-[(5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoic acid

Chemical Structure Depiction of
2-{2-[(5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoic acid
Available: 47 mg
Amount:
mg
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$83.09
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Compound characteristics

Compound ID: D580-0523
Compound Name: 2-{2-[(5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoic acid
Molecular Weight: 493.53
Molecular Formula: C20 H20 F N5 O5 S2
Smiles: Cn1c(CN(c2ccc(cc2)F)S(C)(=O)=O)nnc1SCC(Nc1ccccc1C(O)=O)=O
Stereo: ACHIRAL
logP: 1.9674
logD: -2.4455
logSw: -2.8927
Hydrogen bond acceptors count: 12
Hydrogen bond donors count: 2
Polar surface area: 108.476
InChI Key: XESJFXZXISUSLK-UHFFFAOYSA-N
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