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

Chemical Structure Depiction of
N-{[5-({2-[3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-2-methyl-3-nitrobenzamide
Available: 363 mg
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mg
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Compound characteristics

Compound ID: A0070527
Compound Name: N-{[5-({2-[3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-2-methyl-3-nitrobenzamide
Molecular Weight: 629.7
Molecular Formula: C31 H31 N7 O6 S
Smiles: Cc1c(cccc1[N+]([O-])=O)C(NCc1nnc(n1C)SCC(N1C(CC(c2ccc(cc2)OC)=N1)c1ccc(cc1)OC)=O)=O
Stereo: RACEMIC MIXTURE
logP: 4.5833
logD: 4.5831
logSw: -4.5033
Hydrogen bond acceptors count: 14
Hydrogen bond donors count: 1
Polar surface area: 125.5
InChI Key: METXIQAIYZXZML-MHZLTWQESA-N
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