ChemSpider 2D Image | 2-{[4-Amino-3-(3-fluoro-5-hydroxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-5-methyl-3-(2-methylphenyl)-4(3H)-quinazolinone | C28H22FN7O2

2-{[4-Amino-3-(3-fluoro-5-hydroxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-5-methyl-3-(2-methylphenyl)-4(3H)-quinazolinone

  • Molecular FormulaC28H22FN7O2
  • Average mass507.518 Da
  • Monoisotopic mass507.181915 Da
  • ChemSpider ID24604331

More details:

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

2-{[4-Amino-3-(3-fluor-5-hydroxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-5-methyl-3-(2-methylphenyl)-4(3H)-chinazolinon [German] [ACD/IUPAC Name]
2-{[4-Amino-3-(3-fluoro-5-hydroxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-5-methyl-3-(2-methylphenyl)-4(3H)-quinazolinone [ACD/IUPAC Name]
2-{[4-Amino-3-(3-fluoro-5-hydroxyphényl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]méthyl}-5-méthyl-3-(2-méthylphényl)-4(3H)-quinazolinone [French] [ACD/IUPAC Name]
2-{[4-Amino-3-(3-Fluoro-5-Hydroxyphenyl)-1h-Pyrazolo[3,4-D]pyrimidin-1-Yl]methyl}-5-Methyl-3-(2-Methylphenyl)quinazolin-4(3h)-One
4(3H)-Quinazolinone, 2-[[4-amino-3-(3-fluoro-5-hydroxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-5-methyl-3-(2-methylphenyl)- [ACD/Index Name]
2-((4-Amino-3-(3-fluoro-5-hydroxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl)-5-methyl-3-o-tolylquinazolin-4(3H)-one
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 793.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.4±3.0 kJ/mol
Flash Point: 433.7±35.7 °C
Index of Refraction: 1.744
Molar Refractivity: 139.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 3.76
ACD/LogD (pH 5.5): 3.22
ACD/BCF (pH 5.5): 165.86
ACD/KOC (pH 5.5): 1346.71
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 123.13
ACD/KOC (pH 7.4): 999.78
Polar Surface Area: 123 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 59.7±7.0 dyne/cm
Molar Volume: 344.5±7.0 cm3

Click to predict properties on the Chemicalize site


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