1-(4-Methoxyphenyl)-2-oxo-2-[(2-phenylethyl)amino]ethyl thiophene-2-carboxylate

Base Information

• Chemical Name: 1-(4-Methoxyphenyl)-2-oxo-2-[(2-phenylethyl)amino]ethyl thiophene-2-carboxylate
• CAS No.: 606115-14-4
• Molecular Formula: C22H21NO4S
• Molecular Weight: 395.47
• DSSTox Substance ID: DTXSID70390460
• Mol file: 606115-14-4.mol

Synonyms:606115-14-4;DTXSID70390460;AKOS000799683;AKOS024315669;1-(4-Methoxyphenyl)-2-oxo-2-[(2-phenylethyl)amino]ethyl thiophene-2-carboxylate;2-thiophenecarboxylic acid,1-(4-methoxyphenyl)-2-oxo-2-[(2-phenylethyl)amino]ethyl ester

Chemical Property of 1-(4-Methoxyphenyl)-2-oxo-2-[(2-phenylethyl)amino]ethyl thiophene-2-carboxylate

Chemical Property:

• PSA: 96.36000
• LogP: 4.85400
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 395.11912932
• Heavy Atom Count: 28
• Complexity: 501

Purity/Quality:

2-THIOPHENECARBOXYLIC ACID, 1-(4-METHOXYPHENYL)-2-OXO-2-[(2-PHENYLETHYL)AMINO]ETHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C(C(=O)NCCC2=CC=CC=C2)OC(=O)C3=CC=CS3

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