{6-[2-(Acetylsulfanyl)-3-phenylpropanamido]-2,2-dimethyl-7-oxoazepan-1-yl}acetic acid

Base Information

• Chemical Name: {6-[2-(Acetylsulfanyl)-3-phenylpropanamido]-2,2-dimethyl-7-oxoazepan-1-yl}acetic acid
• CAS No.: 7235-81-6
• Molecular Formula: C21H28N2O5S
• Molecular Weight: 420.5224
• DSSTox Substance ID: DTXSID60413334

Synonyms:7235-81-6;SCHEMBL7540483;DTXSID60413334;JBQLPMPWGWNJQE-UHFFFAOYSA-N;{6-[2-(Acetylsulfanyl)-3-phenylpropanamido]-2,2-dimethyl-7-oxoazepan-1-yl}acetic acid;6-[[2-(acetylthio)-1-oxo-3-phenylpropyl]amino]hexahydro-2,2-dimethyl-7-oxo-1H-azepine-1-acetic acid

Chemical Property of {6-[2-(Acetylsulfanyl)-3-phenylpropanamido]-2,2-dimethyl-7-oxoazepan-1-yl}acetic acid

Chemical Property:

• Vapor Pressure: 2.65E-19mmHg at 25°C
• Boiling Point: 677.9°Cat760mmHg
• Flash Point: 363.8°C
• Density: 1.27g/cm³
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 420.17189317
• Heavy Atom Count: 29
• Complexity: 631

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)SC(CC1=CC=CC=C1)C(=O)NC2CCCC(N(C2=O)CC(=O)O)(C)C

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