ChemSpider 2D Image | N'-{(Z)-[5-Bromo-2-(4-cyanobutoxy)phenyl]methylene}-2-(4-oxo-1-phenyl-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)acetohydrazide | C25H22BrN7O3

N'-{(Z)-[5-Bromo-2-(4-cyanobutoxy)phenyl]methylene}-2-(4-oxo-1-phenyl-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)acetohydrazide

  • Molecular FormulaC25H22BrN7O3
  • Average mass548.391 Da
  • Monoisotopic mass547.096741 Da
  • ChemSpider ID101399336

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

5H-Pyrazolo[3,4-d]pyrimidine-5-acetic acid, 1,4-dihydro-4-oxo-1-phenyl-, 2-[(1Z)-[5-bromo-2-(4-cyanobutoxy)phenyl]methylene]hydrazide [ACD/Index Name]
N'-{(Z)-[5-Brom-2-(4-cyanbutoxy)phenyl]methylen}-2-(4-oxo-1-phenyl-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)acetohydrazid [German] [ACD/IUPAC Name]
N'-{(Z)-[5-Bromo-2-(4-cyanobutoxy)phenyl]methylene}-2-(4-oxo-1-phenyl-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)acetohydrazide [ACD/IUPAC Name]
N'-{(Z)-[5-Bromo-2-(4-cyanobutoxy)phényl]méthylène}-2-(4-oxo-1-phényl-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)acétohydrazide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.680
Molar Refractivity: 140.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.50
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 95.12
ACD/KOC (pH 5.5): 907.12
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 95.12
ACD/KOC (pH 7.4): 907.07
Polar Surface Area: 125 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 59.0±7.0 dyne/cm
Molar Volume: 371.3±7.0 cm3

Click to predict properties on the Chemicalize site


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