2,6-Dichloro-7-(2,3-dihydro-5H-1,4-benzodioxepin-3-yl)-7H-purine

Base Information

• Chemical Name: 2,6-Dichloro-7-(2,3-dihydro-5H-1,4-benzodioxepin-3-yl)-7H-purine
• CAS No.: 918304-43-5
• Molecular Formula: C14H10Cl2N4O2
• ChEMBL ID: CHEMBL257276
• DSSTox Substance ID: DTXSID90583059
• Nikkaji Number: J2.395.677B
• Mol file: 918304-43-5.mol

Synonyms:918304-43-5;2,6-dichloro-7-(3,5-dihydro-2H-benzo[e][1,4]dioxepin-3-yl)-7H-purine;2,6-Dichloro-7-(2,3-dihydro-5H-1,4-benzodioxepin-3-yl)-7H-purine;CHEMBL257276;DTXSID90583059

Chemical Property of 2,6-Dichloro-7-(2,3-dihydro-5H-1,4-benzodioxepin-3-yl)-7H-purine

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 336.0180810
• Heavy Atom Count: 22
• Complexity: 405

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(OCC2=CC=CC=C2O1)N3C=NC4=C3C(=NC(=N4)Cl)Cl