1-(5-Benzyl-6-ethyl-2-methylpyrimidin-4-yl)-4-naphthalen-2-ylsulfonyl-1,4-diazepane

Base Information

• Chemical Name: 1-(5-Benzyl-6-ethyl-2-methylpyrimidin-4-yl)-4-naphthalen-2-ylsulfonyl-1,4-diazepane
• CAS No.: 6019-59-6
• Molecular Formula: C17H12 Cl6 O4
• Molecular Weight: 500.655
• DSSTox Substance ID: DTXSID10412837
• Wikidata: Q82220483
• Mol file: 6019-59-6.mol

Synonyms:6019-59-6;1-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-4-naphthalen-2-ylsulfonyl-1,4-diazepane;DTXSID10412837

Chemical Property of 1-(5-Benzyl-6-ethyl-2-methylpyrimidin-4-yl)-4-naphthalen-2-ylsulfonyl-1,4-diazepane

Chemical Property:

• Vapor Pressure: 6.23E-19mmHg at 25°C
• Boiling Point: 690.8°C at 760 mmHg
• Flash Point: 371.6°C
• PSA: 74.78000
• Density: 1.23g/cm³
• LogP: 6.07610
• XLogP3: 6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 500.22459745
• Heavy Atom Count: 36
• Complexity: 796

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)CC5=CC=CC=C5