3-(2-Cyanopropan-2-yl)-N-(4-methyl-3-((3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino)phenyl)benzamide

Base Information

• Chemical Name: 3-(2-Cyanopropan-2-yl)-N-(4-methyl-3-((3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino)phenyl)benzamide
• CAS No.: 878739-06-1
• Molecular Formula: C27H25N5O2
• Molecular Weight: 451.5197
• Hs Code.: 2933990090
• European Community (EC) Number: 806-151-6
• UNII: 560S6B5D79
• ChEMBL ID: CHEMBL2144069
• DSSTox Substance ID: DTXSID70236677
• Nikkaji Number: J2.545.345J
• Pharos Ligand ID: DFQ4SK6CBCXM
• Wikidata: Q27074677
• Mol file: 878739-06-1.mol

Synonyms:AZ-628

Chemical Property of 3-(2-Cyanopropan-2-yl)-N-(4-methyl-3-((3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino)phenyl)benzamide

Chemical Property:

• PSA: 99.81000
• LogP: 5.18498
• Storage Temp.: ?20°C
• Solubility.: DMSO: soluble10mg/mL, clear
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 451.20082506
• Heavy Atom Count: 34
• Complexity: 845

Purity/Quality:

97% ^*data from raw suppliers

AZ628 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25-36/37/38
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)NC3=CC4=C(C=C3)N=CN(C4=O)C