ChemSpider 2D Image | 2-{4-[3-Amino-4-(1,3-benzodioxol-5-yl)-2-methyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl]-1-piperazinyl}-1-(4-morpholinyl)ethanone | C23H28N8O4

2-{4-[3-Amino-4-(1,3-benzodioxol-5-yl)-2-methyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl]-1-piperazinyl}-1-(4-morpholinyl)ethanone

  • Molecular FormulaC23H28N8O4
  • Average mass480.520 Da
  • Monoisotopic mass480.223358 Da
  • ChemSpider ID22619992

More details:

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

2-{4-[3-Amino-4-(1,3-benzodioxol-5-yl)-2-methyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl]-1-piperazinyl}-1-(4-morpholinyl)ethanon [German] [ACD/IUPAC Name]
2-{4-[3-Amino-4-(1,3-benzodioxol-5-yl)-2-methyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl]-1-piperazinyl}-1-(4-morpholinyl)ethanone [ACD/IUPAC Name]
2-{4-[3-Amino-4-(1,3-benzodioxol-5-yl)-2-méthyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl]-1-pipérazinyl}-1-(4-morpholinyl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-[4-[3-amino-4-(1,3-benzodioxol-5-yl)-2-methyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl]-1-piperazinyl]-1-(4-morpholinyl)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 795.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.7±3.0 kJ/mol
Flash Point: 435.1±35.7 °C
Index of Refraction: 1.768
Molar Refractivity: 125.0±0.5 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 0.13
ACD/LogD (pH 5.5): -0.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.20
ACD/LogD (pH 7.4): 0.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 23.96
Polar Surface Area: 124 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 70.3±7.0 dyne/cm
Molar Volume: 301.3±7.0 cm3

Click to predict properties on the Chemicalize site


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