N-{[5-({2-[5-(2,3-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}-3-methylbenzamide

Chemical Structure Depiction of
N-{[5-({2-[5-(2,3-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}-3-methylbenzamide
Available: 408 mg
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mg
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Compound characteristics

Compound ID: A0070190
Compound Name: N-{[5-({2-[5-(2,3-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}-3-methylbenzamide
Molecular Weight: 652.79
Molecular Formula: C34 H32 N6 O4 S2
Smiles: Cc1cccc(c1)C(NCc1nnc(n1c1ccccc1)SCC(N1C(CC(c2cccs2)=N1)c1cccc(c1OC)OC)=O)=O
Stereo: RACEMIC MIXTURE
logP: 5.6227
logD: 5.6227
logSw: -5.4411
Hydrogen bond acceptors count: 10
Hydrogen bond donors count: 1
Polar surface area: 93.36
InChI Key: HXRSODDVBJZDKS-HHHXNRCGSA-N
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