ChemSpider 2D Image | 1-(4-Bromophenyl)-5-(3-fluorobenzyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one | C18H12BrFN4O

1-(4-Bromophenyl)-5-(3-fluorobenzyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one

  • Molecular FormulaC18H12BrFN4O
  • Average mass399.216 Da
  • Monoisotopic mass398.017853 Da
  • ChemSpider ID27307738

More details:

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

1-(4-Bromophenyl)-5-(3-fluorobenzyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one [ACD/IUPAC Name]
1-(4-Bromophényl)-5-(3-fluorobenzyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one [French] [ACD/IUPAC Name]
1-(4-Bromphenyl)-5-(3-fluorbenzyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-on [German] [ACD/IUPAC Name]
4H-Pyrazolo[3,4-d]pyrimidin-4-one, 1-(4-bromophenyl)-5-[(3-fluorophenyl)methyl]-1,5-dihydro- [ACD/Index Name]
1-(4-Bromo-phenyl)-5-(3-fluoro-benzyl)-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
1-(4-bromophenyl)-5-[(3-fluorophenyl)methyl]-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
1326931-10-5 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 547.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.7±3.0 kJ/mol
Flash Point: 285.1±32.9 °C
Index of Refraction: 1.702
Molar Refractivity: 97.6±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.19
ACD/LogD (pH 5.5): 3.25
ACD/BCF (pH 5.5): 174.37
ACD/KOC (pH 5.5): 1399.78
ACD/LogD (pH 7.4): 3.25
ACD/BCF (pH 7.4): 174.37
ACD/KOC (pH 7.4): 1399.78
Polar Surface Area: 50 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 55.3±7.0 dyne/cm
Molar Volume: 252.0±7.0 cm3

Click to predict properties on the Chemicalize site


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