4-{[(1E)-3-(2,4-dimethoxyphenyl)-3-oxoprop-1-en-1-yl]amino}-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide

Base Information

• Chemical Name: 4-{[(1E)-3-(2,4-dimethoxyphenyl)-3-oxoprop-1-en-1-yl]amino}-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
• CAS No.: 5857-76-1
• Molecular Formula: C21H22N4O5S2
• Molecular Weight: 474.5532
• DSSTox Substance ID: DTXSID80365467
• Wikidata: Q82150163

Synonyms:5857-76-1;BAS 01267414;DTXSID80365467;SMSF0008634;STK527768;AKOS000608890;CB11638;BIM-0008816.P001;AB00099466-01;4-{[(1E)-3-(2,4-dimethoxyphenyl)-3-oxoprop-1-en-1-yl]amino}-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide

Chemical Property of 4-{[(1E)-3-(2,4-dimethoxyphenyl)-3-oxoprop-1-en-1-yl]amino}-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide

Chemical Property:

• Vapor Pressure: 1.58E-18mmHg at 25°C
• Boiling Point: 683.4°C at 760 mmHg
• Flash Point: 367.1°C
• Density: 1.392g/cm³
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 10
• Exact Mass: 474.10316216
• Heavy Atom Count: 32
• Complexity: 737

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC=CC(=O)C3=C(C=C(C=C3)OC)OC
• Isomeric SMILES: CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)N/C=C/C(=O)C3=C(C=C(C=C3)OC)OC

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