Cyclopent(4,5)imidazo(2,1-b)purin-4(1H)-one, 5,6a,7,8,9,9a-hexahydro-5-methyl-2-((4-(trifluoromethyl)phenyl)methyl)-, (6aR,9aS)-rel-

Base Information

• Chemical Name: Cyclopent(4,5)imidazo(2,1-b)purin-4(1H)-one, 5,6a,7,8,9,9a-hexahydro-5-methyl-2-((4-(trifluoromethyl)phenyl)methyl)-, (6aR,9aS)-rel-
• CAS No.: 167298-74-0
• Molecular Formula: C19H18 F3 N5 O
• Molecular Weight: 389.37
• UNII: F8GU4PSP29
• ChEMBL ID: CHEMBL1628659
• Nikkaji Number: J974.748F
• Wikidata: Q15634078
• Wikipedia: SCH-51866

Synonyms:cis-5,6a,7,8,9,9a-hexahydro-2-(4-(trifluoromethyl)phenylmethyl)-5-methyl-cyclopent(4,5)imidazo(2,1-b)purin-4(3H)-one;SCH 51866;SCH-51866

Chemical Property of Cyclopent(4,5)imidazo(2,1-b)purin-4(1H)-one, 5,6a,7,8,9,9a-hexahydro-5-methyl-2-((4-(trifluoromethyl)phenyl)methyl)-, (6aR,9aS)-rel-

Chemical Property:

• PSA: 67.97000
• LogP: 2.11620
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 389.14634470
• Heavy Atom Count: 28
• Complexity: 675

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CN1C(=O)C2=C(N=C(N2)CC3=CC=C(C=C3)C(F)(F)F)N4C1=NC5C4CCC5
• Isomeric SMILES: CN1C(=O)C2=C(N=C(N2)CC3=CC=C(C=C3)C(F)(F)F)N4C1=N[C@H]5[C@@H]4CCC5

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