ChemSpider 2D Image | 4-Methyl-2-{2-[4-(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1-piperazinyl]-2-oxoethyl}-1(2H)-phthalazinone | C21H22N8O2

4-Methyl-2-{2-[4-(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1-piperazinyl]-2-oxoethyl}-1(2H)-phthalazinone

  • Molecular FormulaC21H22N8O2
  • Average mass418.452 Da
  • Monoisotopic mass418.186584 Da
  • ChemSpider ID30444662

More details:

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

1(2H)-Phthalazinone, 4-methyl-2-[2-[4-(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1-piperazinyl]-2-oxoethyl]- [ACD/Index Name]
4-Méthyl-2-{2-[4-(1-méthyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1-pipérazinyl]-2-oxoéthyl}-1(2H)-phtalazinone [French] [ACD/IUPAC Name]
4-Methyl-2-{2-[4-(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1-piperazinyl]-2-oxoethyl}-1(2H)-phthalazinon [German] [ACD/IUPAC Name]
4-Methyl-2-{2-[4-(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1-piperazinyl]-2-oxoethyl}-1(2H)-phthalazinone [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: 692.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.4±3.0 kJ/mol
Flash Point: 372.3±34.3 °C
Index of Refraction: 1.757
Molar Refractivity: 116.0±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -0.72
ACD/LogD (pH 5.5): 0.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 27.89
ACD/LogD (pH 7.4): 0.54
ACD/BCF (pH 7.4): 1.52
ACD/KOC (pH 7.4): 46.80
Polar Surface Area: 100 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 65.2±7.0 dyne/cm
Molar Volume: 282.7±7.0 cm3

Click to predict properties on the Chemicalize site


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