methyl 2-({[2-(3-methylphenyl)quinolin-4-yl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Base Information

• Chemical Name: methyl 2-({[2-(3-methylphenyl)quinolin-4-yl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
• CAS No.: 5696-53-7
• Molecular Formula: C28H26N2O3S
• Molecular Weight: 470.5826
• DSSTox Substance ID: DTXSID40367346
• Wikidata: Q82153126

Synonyms:5696-53-7;methyl 2-({[2-(3-methylphenyl)quinolin-4-yl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate;ST50913937;Oprea1_402679;DTXSID40367346;STK447044;AKOS001626637;SR-01000430621;SR-01000430621-1

Chemical Property of methyl 2-({[2-(3-methylphenyl)quinolin-4-yl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Chemical Property:

• Vapor Pressure: 1.26E-15mmHg at 25°C
• Boiling Point: 626.8°Cat760mmHg
• Flash Point: 332.9°C
• Density: 1.274g/cm³
• XLogP3: 7.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 470.16641387
• Heavy Atom Count: 34
• Complexity: 732

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CCCCC5)C(=O)OC

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