2-(benzylamino)-N-[4-[4-[[2-(benzylamino)acetyl]amino]phenyl]sulfonylphenyl]acetamide

Base Information

• Chemical Name: 2-(benzylamino)-N-[4-[4-[[2-(benzylamino)acetyl]amino]phenyl]sulfonylphenyl]acetamide
• CAS No.: 6302-96-1
• Molecular Formula: C30H30 N4 O4 S
• Molecular Weight: 542.65
• NSC Number: 41238
• DSSTox Substance ID: DTXSID60285270
• Wikidata: Q82020586
• Mol file: 6302-96-1.mol

Synonyms:6302-96-1;NSC41238;2-(benzylamino)-N-[4-[4-[[2-(benzylamino)acetyl]amino]phenyl]sulfonylphenyl]acetamide;DTXSID60285270;NSC-41238;2-(Benzylamino)-N-[4-[4-[[2-(benzylamino)acetyl]amino]phenyl]sulfonylp henyl]acetamide

Chemical Property of 2-(benzylamino)-N-[4-[4-[[2-(benzylamino)acetyl]amino]phenyl]sulfonylphenyl]acetamide

Chemical Property:

• Boiling Point: 814.6±65.0 °C(Predicted)
• PKA: 12.60±0.70(Predicted)
• Flash Point: 446.4oC
• PSA: 124.78000
• Density: 1.304±0.06 g/cm3(Predicted)
• LogP: 5.98460
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 12
• Exact Mass: 542.19877662
• Heavy Atom Count: 39
• Complexity: 785

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CNCC(=O)NC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)CNCC4=CC=CC=C4