N-(4-{4-Cyano-2-[(furan-2-yl)methylidene]-5-oxo-2,5-dihydrofuran-3-yl}phenyl)butane-1-sulfonamide

Base Information

• Chemical Name: N-(4-{4-Cyano-2-[(furan-2-yl)methylidene]-5-oxo-2,5-dihydrofuran-3-yl}phenyl)butane-1-sulfonamide
• CAS No.: 130016-98-7
• Molecular Formula: C20H18 N2 O5 S
• Molecular Weight: 0
• European Community (EC) Number: 423-250-6
• DSSTox Substance ID: DTXSID80700470
• Mol file: 130016-98-7.mol

Synonyms:130016-98-7;SCHEMBL4413895;DTXSID80700470;DESLCFKWTJEBGT-UHFFFAOYSA-N;N-(4-{4-Cyano-2-[(furan-2-yl)methylidene]-5-oxo-2,5-dihydrofuran-3-yl}phenyl)butane-1-sulfonamide

Chemical Property of N-(4-{4-Cyano-2-[(furan-2-yl)methylidene]-5-oxo-2,5-dihydrofuran-3-yl}phenyl)butane-1-sulfonamide

Chemical Property:

• PSA: 117.78000
• LogP: 4.85028
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 398.09364285
• Heavy Atom Count: 28
• Complexity: 807

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Hazard Codes: N
• Statements: 50/53
• Safety Statements: 60-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCS(=O)(=O)NC1=CC=C(C=C1)C2=C(C(=O)OC2=CC3=CC=CO3)C#N