Benzoic acid, 4-((2,3-dioxo-4-((4-(2-pyrimidinylamino)phenyl)methyl)-1-piperazinyl)methyl)-, methyl ester

Base Information

• Chemical Name: Benzoic acid, 4-((2,3-dioxo-4-((4-(2-pyrimidinylamino)phenyl)methyl)-1-piperazinyl)methyl)-, methyl ester
• CAS No.: 77917-21-6
• Molecular Formula: C₂₄H₂₃N₅O₄
• Molecular Weight: 445.478
• DSSTox Substance ID: DTXSID30228553

Synonyms:BRN 5665473;Benzoic acid, 4-((2,3-dioxo-4-((4-(2-pyrimidinylamino)phenyl)methyl)-1-piperazinyl)methyl)-, methyl ester;77917-21-6;DTXSID30228553;C24H23N5O4;LS-37323

Chemical Property of Benzoic acid, 4-((2,3-dioxo-4-((4-(2-pyrimidinylamino)phenyl)methyl)-1-piperazinyl)methyl)-, methyl ester

Chemical Property:

• Vapor Pressure: 1.85E-17mmHg at 25°C
• Boiling Point: 663.2°Cat760mmHg
• Flash Point: 354.9°C
• Density: 1.355g/cm³
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 445.17500423
• Heavy Atom Count: 33
• Complexity: 682

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC=C(C=C1)CN2CCN(C(=O)C2=O)CC3=CC=C(C=C3)NC4=NC=CC=N4

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