Ethyl 2-{3-[2-cyano-3-(4-fluoroanilino)-3-oxoprop-1-en-1-yl]-2,5-dimethyl-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Base Information

• Chemical Name: Ethyl 2-{3-[2-cyano-3-(4-fluoroanilino)-3-oxoprop-1-en-1-yl]-2,5-dimethyl-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
• CAS No.: 5870-66-6
• Molecular Formula: C27H26FN3O3S
• Molecular Weight: 491.577
• DSSTox Substance ID: DTXSID70386843

Synonyms:5870-66-6;DTXSID70386843;Ethyl 2-{3-[2-cyano-3-(4-fluoroanilino)-3-oxoprop-1-en-1-yl]-2,5-dimethyl-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Chemical Property of Ethyl 2-{3-[2-cyano-3-(4-fluoroanilino)-3-oxoprop-1-en-1-yl]-2,5-dimethyl-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Chemical Property:

• Vapor Pressure: 9.6E-22mmHg at 25°C
• Boiling Point: 739.7°Cat760mmHg
• Flash Point: 401.1°C
• Density: 1.29g/cm³
• XLogP3: 6.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 491.16789104
• Heavy Atom Count: 35
• Complexity: 865

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(SC2=C1CCCC2)N3C(=CC(=C3C)C=C(C#N)C(=O)NC4=CC=C(C=C4)F)C

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