3-[5-[(dipropylamino)methyl]-1,2,4-oxadiazol-3-yl]-8-fluoro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one

Base Information

• Chemical Name: 3-[5-[(dipropylamino)methyl]-1,2,4-oxadiazol-3-yl]-8-fluoro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
• CAS No.: 172407-17-9
• Deprecated CAS: 189303-43-3
• Molecular Formula: C21H25 F N6 O2
• UNII: NKE9773PBB
• DSSTox Substance ID: DTXSID10938143
• Nikkaji Number: J890.680G
• Wikipedia: Ro48-6791
• Wikidata: Q7339202

Synonyms:3-(5-dipropylaminomethyl-1,2,4-oxadiazol-3-yl)-8-fluoro-5-methyl-5,6-dihydro-4H-imidazo(1,5-a) (1,4)benzodiazepin-6-one;Ro 48-6791;Ro-48-6791

Chemical Property of 3-[5-[(dipropylamino)methyl]-1,2,4-oxadiazol-3-yl]-8-fluoro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 412.20230222
• Heavy Atom Count: 30
• Complexity: 592

Purity/Quality:

97% ^*data from raw suppliers

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCN(CCC)CC1=NC(=NO1)C2=C3CN(C(=O)C4=C(N3C=N2)C=CC(=C4)F)C

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