3-(3-{2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanamido}benzamido)-1-phenyl-1H-pyrazol-5-yl 4-(propan-2-yl)benzene-1-sulfonate

Chemical Structure Depiction of
3-(3-{2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanamido}benzamido)-1-phenyl-1H-pyrazol-5-yl 4-(propan-2-yl)benzene-1-sulfonate
Available: 259 mg
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mg
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Compound characteristics

Compound ID: 0104-0045
Compound Name: 3-(3-{2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanamido}benzamido)-1-phenyl-1H-pyrazol-5-yl 4-(propan-2-yl)benzene-1-sulfonate
Molecular Weight: 779.01
Molecular Formula: C45 H54 N4 O6 S
Smiles: CCC(C(Nc1cccc(c1)C(Nc1cc(n(c2ccccc2)n1)OS(c1ccc(cc1)C(C)C)(=O)=O)=O)=O)Oc1ccc(cc1C(C)(C)CC)C(C)(C)CC
Stereo: RACEMIC MIXTURE
logP: 11.679
logD: 11.6648
logSw: -5.6968
Hydrogen bond acceptors count: 11
Hydrogen bond donors count: 2
Polar surface area: 103.003
InChI Key: XYWGXDZNZNMXCN-LHEWISCISA-N
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