N-[(E)-3-(3-bromoanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]thiophene-2-carboxamide

Base Information

• Chemical Name: N-[(E)-3-(3-bromoanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]thiophene-2-carboxamide
• CAS No.: 6054-89-3
• Molecular Formula: C18H13BrN2O2S2
• Molecular Weight: 433.3
• DSSTox Substance ID: DTXSID80417410
• Wikidata: Q82227303

Synonyms:6054-89-3;N-[(E)-3-(3-bromoanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]thiophene-2-carboxamide;AC1NT75E;DTXSID80417410;BIM-0043293.P001

Chemical Property of N-[(E)-3-(3-bromoanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]thiophene-2-carboxamide

Chemical Property:

• Vapor Pressure: 6.46E-19mmHg at 25°C
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 431.96018
• Heavy Atom Count: 25
• Complexity: 529

Purity/Quality:

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MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)Br)NC(=O)C(=CC2=CC=CS2)NC(=O)C3=CC=CS3
• Isomeric SMILES: C1=CC(=CC(=C1)Br)NC(=O)/C(=C\C2=CC=CS2)/NC(=O)C3=CC=CS3

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