N-[1-(5-{[2-(4-Ethoxyanilino)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)ethyl]-2-fluorobenzamide

Base Information

• Chemical Name: N-[1-(5-{[2-(4-Ethoxyanilino)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)ethyl]-2-fluorobenzamide
• CAS No.: 5413-81-0
• Molecular Formula: C23H26FN5O3S
• Molecular Weight: 471.5476
• DSSTox Substance ID: DTXSID80409855

Synonyms:5413-81-0;DTXSID80409855;N-[1-(5-{[2-(4-Ethoxyanilino)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)ethyl]-2-fluorobenzamide

Chemical Property of N-[1-(5-{[2-(4-Ethoxyanilino)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)ethyl]-2-fluorobenzamide

Chemical Property:

• Density: 1.3g/cm³
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 10
• Exact Mass: 471.17403904
• Heavy Atom Count: 33
• Complexity: 637

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)OCC)C(C)NC(=O)C3=CC=CC=C3F

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