ethyl 4-[2-({4-methyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoate

Chemical Structure Depiction of
ethyl 4-[2-({4-methyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoate
Available: 88 mg
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mg
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Compound characteristics

Compound ID: L849-1370
Compound Name: ethyl 4-[2-({4-methyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoate
Molecular Weight: 490.58
Molecular Formula: C25 H26 N6 O3 S
Smiles: CCOC(c1ccc(cc1)NC(CSc1nnc(c2cn(C)nc2c2ccc(C)cc2)n1C)=O)=O
Stereo: ACHIRAL
logP: 3.8624
logD: 3.8623
logSw: -3.7494
Hydrogen bond acceptors count: 9
Hydrogen bond donors count: 1
Polar surface area: 84.038
InChI Key: JBWDNXZZXHDPMZ-UHFFFAOYSA-N
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