N-{[4-(4-ethoxyphenyl)-5-({2-[5-(4-methylphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3-fluorobenzamide

Chemical Structure Depiction of
N-{[4-(4-ethoxyphenyl)-5-({2-[5-(4-methylphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3-fluorobenzamide
Available: 416 mg
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mg
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Compound characteristics

Compound ID: A0070297
Compound Name: N-{[4-(4-ethoxyphenyl)-5-({2-[5-(4-methylphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3-fluorobenzamide
Molecular Weight: 654.79
Molecular Formula: C34 H31 F N6 O3 S2
Smiles: CCOc1ccc(cc1)n1c(CNC(c2cccc(c2)F)=O)nnc1SCC(N1C(CC(c2cccs2)=N1)c1ccc(C)cc1)=O
Stereo: RACEMIC MIXTURE
logP: 6.4046
logD: 6.4045
logSw: -5.6324
Hydrogen bond acceptors count: 9
Hydrogen bond donors count: 1
Polar surface area: 85.136
InChI Key: DQICRMMJKNGSQE-GDLZYMKVSA-N
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