(3E)-7-methoxy-1-(4-methylphenyl)sulfonyl-3-[(4-phenylpiperazin-1-yl)methylidene]-2H-quinolin-4-one

Base Information

• Chemical Name: (3E)-7-methoxy-1-(4-methylphenyl)sulfonyl-3-[(4-phenylpiperazin-1-yl)methylidene]-2H-quinolin-4-one
• CAS No.: 75227-31-5
• Molecular Formula: C28H29N3O4S
• Molecular Weight: 503.6126
• NSC Number: 321137
• DSSTox Substance ID: DTXSID70420433
• Wikidata: Q82231713

Synonyms:NSC321137;75227-31-5;DTXSID70420433;NSC-321137

Chemical Property of (3E)-7-methoxy-1-(4-methylphenyl)sulfonyl-3-[(4-phenylpiperazin-1-yl)methylidene]-2H-quinolin-4-one

Chemical Property:

• Vapor Pressure: 7.83E-20mmHg at 25°C
• Boiling Point: 706.9°Cat760mmHg
• Flash Point: 381.3°C
• Density: 1.334g/cm³
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 503.18787759
• Heavy Atom Count: 36
• Complexity: 894

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CC(=CN3CCN(CC3)C4=CC=CC=C4)C(=O)C5=C2C=C(C=C5)OC
• Isomeric SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C/C(=C\N3CCN(CC3)C4=CC=CC=C4)/C(=O)C5=C2C=C(C=C5)OC

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