Imidazo(4,5,1-jk)(1,4)benzodiazepine-8-iodo-1,2,4,5,6,7-hexahydro-5-methyl-6-(3-methyl-2-butenyl)-2-oxo-

Base Information

• Chemical Name: Imidazo(4,5,1-jk)(1,4)benzodiazepine-8-iodo-1,2,4,5,6,7-hexahydro-5-methyl-6-(3-methyl-2-butenyl)-2-oxo-
• CAS No.: 257891-54-6
• Molecular Formula: C16H20 I N3 O
• Molecular Weight: 397.254
• DSSTox Substance ID: DTXSID90948669
• Mol file: 257891-54-6.mol

Synonyms:257891-54-6;Imidazo(4,5,1-jk)(1,4)benzodiazepine-8-iodo-1,2,4,5,6,7-hexahydro-5-methyl-6-(3-methyl-2-butenyl)-2-oxo-;Imidazo[4,5,1-jk][1,4]benzodiazepine-8-iodo-1,2,4,5,6,7-hexahydro-5-methyl-6-(3-methyl-2-butenyl)-2-oxo-;iodo-methyl-(3-methylbut-2-enyl)[?]one;DTXSID90948669;8-Iodo-5-methyl-6-(3-methylbut-2-en-1-yl)-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1,4]benzodiazepin-2-ol

Chemical Property of Imidazo(4,5,1-jk)(1,4)benzodiazepine-8-iodo-1,2,4,5,6,7-hexahydro-5-methyl-6-(3-methyl-2-butenyl)-2-oxo-

Chemical Property:

• PKA: 12.88±0.40(Predicted)
• PSA: 41.29000
• Density: 1.61g/cm³
• LogP: 3.45470
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 397.06511
• Heavy Atom Count: 21
• Complexity: 449

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CN2C3=C(C=CC(=C3CN1CC=C(C)C)I)NC2=O