ChemSpider 2D Image | N-(2-Ethoxybenzyl)-2-{4-[4-(2-pyridinyl)-1-piperazinyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}acetamide | C25H28N8O2

N-(2-Ethoxybenzyl)-2-{4-[4-(2-pyridinyl)-1-piperazinyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}acetamide

  • Molecular FormulaC25H28N8O2
  • Average mass472.542 Da
  • Monoisotopic mass472.233521 Da
  • ChemSpider ID29249881

More details:

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

1H-Pyrazolo[3,4-d]pyrimidine-1-acetamide, N-[(2-ethoxyphenyl)methyl]-4-[4-(2-pyridinyl)-1-piperazinyl]- [ACD/Index Name]
N-(2-Ethoxybenzyl)-2-{4-[4-(2-pyridinyl)-1-piperazinyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}acetamid [German] [ACD/IUPAC Name]
N-(2-Ethoxybenzyl)-2-{4-[4-(2-pyridinyl)-1-piperazinyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}acetamide [ACD/IUPAC Name]
N-(2-Éthoxybenzyl)-2-{4-[4-(2-pyridinyl)-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, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 750.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.4±3.0 kJ/mol
Flash Point: 407.9±32.9 °C
Index of Refraction: 1.691
Molar Refractivity: 134.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 1.35
ACD/LogD (pH 5.5): -0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.56
ACD/LogD (pH 7.4): 1.19
ACD/BCF (pH 7.4): 2.62
ACD/KOC (pH 7.4): 34.80
Polar Surface Area: 101 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 57.0±7.0 dyne/cm
Molar Volume: 350.8±7.0 cm3

Click to predict properties on the Chemicalize site


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