ChemSpider 2D Image | N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-phenyl-1-piperazinyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]acetamide | C25H25N7O3

N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-phenyl-1-piperazinyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]acetamide

  • Molecular FormulaC25H25N7O3
  • Average mass471.511 Da
  • Monoisotopic mass471.201874 Da
  • ChemSpider ID29249708

More details:






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

1H-Pyrazolo[3,4-d]pyrimidine-1-acetamide, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-phenyl-1-piperazinyl)- [ACD/Index Name]
N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-phenyl-1-piperazinyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]acetamid [German] [ACD/IUPAC Name]
N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-phenyl-1-piperazinyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]acetamide [ACD/IUPAC Name]
N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-phényl-1-pipérazinyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]acétamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 740.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.1±3.0 kJ/mol
Flash Point: 401.9±32.9 °C
Index of Refraction: 1.734
Molar Refractivity: 130.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.09
ACD/LogD (pH 5.5): 2.17
ACD/BCF (pH 5.5): 24.30
ACD/KOC (pH 5.5): 313.96
ACD/LogD (pH 7.4): 2.29
ACD/BCF (pH 7.4): 32.52
ACD/KOC (pH 7.4): 420.27
Polar Surface Area: 98 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 63.2±7.0 dyne/cm
Molar Volume: 325.0±7.0 cm3

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