9-(2,3-Dihydro-5H-1,4-benzodioxepin-3-yl)-6-iodo-9H-purine

Base Information

• Chemical Name: 9-(2,3-Dihydro-5H-1,4-benzodioxepin-3-yl)-6-iodo-9H-purine
• CAS No.: 918304-35-5
• Molecular Formula: C14H11IN4O2
• Molecular Weight: 394.16700
• ChEMBL ID: CHEMBL257465
• DSSTox Substance ID: DTXSID80583048

Synonyms:918304-35-5;9-(3,5-dihydro-2H-benzo[e][1,4]dioxepin-3-yl)-6-iodo-9H-purine;CHEMBL257465;DTXSID80583048;9-(2,3-Dihydro-5H-1,4-benzodioxepin-3-yl)-6-iodo-9H-purine

Chemical Property of 9-(2,3-Dihydro-5H-1,4-benzodioxepin-3-yl)-6-iodo-9H-purine

Chemical Property:

• PSA: 62.06000
• LogP: 2.53870
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 393.99267
• Heavy Atom Count: 21
• Complexity: 375

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(OCC2=CC=CC=C2O1)N3C=NC4=C3N=CN=C4I

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