2-({4-Chloro-6-[4-(3,3-dimethylbutanoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl}sulfanyl)-N-[(pyridin-3-yl)methyl]acetamide

Base Information

• Chemical Name: 2-({4-Chloro-6-[4-(3,3-dimethylbutanoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl}sulfanyl)-N-[(pyridin-3-yl)methyl]acetamide
• CAS No.: 5900-03-8
• Molecular Formula: C23H31ClN6O2S
• Molecular Weight: 491.0492
• DSSTox Substance ID: DTXSID80411170

Synonyms:5900-03-8;DTXSID80411170;2-({4-Chloro-6-[4-(3,3-dimethylbutanoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl}sulfanyl)-N-[(pyridin-3-yl)methyl]acetamide

Chemical Property of 2-({4-Chloro-6-[4-(3,3-dimethylbutanoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl}sulfanyl)-N-[(pyridin-3-yl)methyl]acetamide

Chemical Property:

• Vapor Pressure: 2.62E-21mmHg at 25°C
• Boiling Point: 732.4°Cat760mmHg
• Flash Point: 396.7°C
• Density: 1.3g/cm³
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 490.1917731
• Heavy Atom Count: 33
• Complexity: 663

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CN(CCN1C(=O)CC(C)(C)C)C2=CC(=NC(=N2)SCC(=O)NCC3=CN=CC=C3)Cl

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