N-{[4-(3-chlorophenyl)-5-({2-[5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-nitrobenzamide

Chemical Structure Depiction of
N-{[4-(3-chlorophenyl)-5-({2-[5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-nitrobenzamide
Available: 117 mg
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mg
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Compound characteristics

Compound ID: A0070319
Compound Name: N-{[4-(3-chlorophenyl)-5-({2-[5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-nitrobenzamide
Molecular Weight: 676.15
Molecular Formula: C31 H23 Cl F N7 O4 S2
Smiles: C1C(c2ccc(cc2)F)N(C(CSc2nnc(CNC(c3ccc(cc3)[N+]([O-])=O)=O)n2c2cccc(c2)[Cl])=O)N=C1c1cccs1
Stereo: RACEMIC MIXTURE
logP: 6.053
logD: 6.053
logSw: -6.5056
Hydrogen bond acceptors count: 12
Hydrogen bond donors count: 1
Polar surface area: 111.394
InChI Key: JFKOYWMGOSTWQL-SANMLTNESA-N
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