methyl 2-{[(2-oxo-2H-chromen-3-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Base Information

• Chemical Name: methyl 2-{[(2-oxo-2H-chromen-3-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
• CAS No.: 5586-93-6
• Molecular Formula: C20H17NO5S
• Molecular Weight: 383.4177
• DSSTox Substance ID: DTXSID10359995
• Wikidata: Q82141472

Synonyms:5586-93-6;methyl 2-{[(2-oxo-2H-chromen-3-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;ZINC00731975;Oprea1_334788;Oprea1_456972;DTXSID10359995;STK395581;AKOS000661493;CCG-287815;methyl 2-(2-oxo-2H-chromene-3-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;SR-01000419527;SR-01000419527-1;Z57215605

Chemical Property of methyl 2-{[(2-oxo-2H-chromen-3-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Chemical Property:

• Vapor Pressure: 2.14E-18mmHg at 25°C
• Boiling Point: 680.9°Cat760mmHg
• Flash Point: 365.6°C
• Density: 1.431g/cm³
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 383.08274382
• Heavy Atom Count: 27
• Complexity: 663

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC4=CC=CC=C4OC3=O

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