7-(2,3-Dihydro-5H-1,4-benzodioxepin-3-yl)-6-iodo-7H-purine

Base Information

• Chemical Name: 7-(2,3-Dihydro-5H-1,4-benzodioxepin-3-yl)-6-iodo-7H-purine
• CAS No.: 918304-42-4
• Molecular Formula: C14H11IN4O2
• Molecular Weight: 394.171
• ChEMBL ID: CHEMBL439239
• DSSTox Substance ID: DTXSID10583051
• Nikkaji Number: J2.395.675F

Synonyms:918304-42-4;7-(3,5-dihydro-2H-benzo[e][1,4]dioxepin-3-yl)-6-iodo-7H-purine;CHEMBL439239;DTXSID10583051;7-(2,3-Dihydro-5H-1,4-benzodioxepin-3-yl)-6-iodo-7H-purine

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

Chemical Property:

• 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=C3C(=NC=N4)I

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