ChemSpider 2D Image | 2-{3-[6-(Methylsulfanyl)-4-(1-pyrrolidinyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]propyl}-1H-isoindole-1,3(2H)-dione | C21H22N6O2S

2-{3-[6-(Methylsulfanyl)-4-(1-pyrrolidinyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]propyl}-1H-isoindole-1,3(2H)-dione

  • Molecular FormulaC21H22N6O2S
  • Average mass422.503 Da
  • Monoisotopic mass422.152496 Da
  • ChemSpider ID21134504

More details:

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

1H-Isoindole-1,3(2H)-dione, 2-[3-[6-(methylthio)-4-(1-pyrrolidinyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]propyl]- [ACD/Index Name]
2-{3-[6-(Methylsulfanyl)-4-(1-pyrrolidinyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]propyl}-1H-isoindol-1,3(2H)-dion [German] [ACD/IUPAC Name]
2-{3-[6-(Methylsulfanyl)-4-(1-pyrrolidinyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]propyl}-1H-isoindole-1,3(2H)-dione [ACD/IUPAC Name]
2-{3-[6-(Méthylsulfanyl)-4-(1-pyrrolidinyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]propyl}-1H-isoindole-1,3(2H)-dione [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: 661.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.3±3.0 kJ/mol
Flash Point: 353.9±34.3 °C
Index of Refraction: 1.766
Molar Refractivity: 116.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.63
ACD/LogD (pH 5.5): 2.06
ACD/BCF (pH 5.5): 21.46
ACD/KOC (pH 5.5): 309.94
ACD/LogD (pH 7.4): 2.07
ACD/BCF (pH 7.4): 22.08
ACD/KOC (pH 7.4): 318.84
Polar Surface Area: 110 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 66.3±7.0 dyne/cm
Molar Volume: 282.6±7.0 cm3

Click to predict properties on the Chemicalize site


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