ChemSpider 2D Image | 4-({4-[1-(3-Chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1-piperazinyl}carbonyl)-1-(2-methoxyethyl)-2-pyrrolidinone | C23H26ClN7O3

4-({4-[1-(3-Chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1-piperazinyl}carbonyl)-1-(2-methoxyethyl)-2-pyrrolidinone

  • Molecular FormulaC23H26ClN7O3
  • Average mass483.951 Da
  • Monoisotopic mass483.178558 Da
  • ChemSpider ID34686681

More details:

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

2-Pyrrolidinone, 4-[[4-[1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1-piperazinyl]carbonyl]-1-(2-methoxyethyl)- [ACD/Index Name]
4-({4-[1-(3-Chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1-piperazinyl}carbonyl)-1-(2-methoxyethyl)-2-pyrrolidinone [ACD/IUPAC Name]
4-({4-[1-(3-Chlorophényl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1-pipérazinyl}carbonyl)-1-(2-méthoxyéthyl)-2-pyrrolidinone [French] [ACD/IUPAC Name]
4-({4-[1-(3-Chlorphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1-piperazinyl}carbonyl)-1-(2-methoxyethyl)-2-pyrrolidinon [German] [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: 692.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.5±3.0 kJ/mol
Flash Point: 372.8±31.5 °C
Index of Refraction: 1.715
Molar Refractivity: 128.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 0.78
ACD/LogD (pH 5.5): 1.28
ACD/BCF (pH 5.5): 5.39
ACD/KOC (pH 5.5): 112.82
ACD/LogD (pH 7.4): 1.32
ACD/BCF (pH 7.4): 5.96
ACD/KOC (pH 7.4): 124.79
Polar Surface Area: 97 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 61.8±7.0 dyne/cm
Molar Volume: 326.7±7.0 cm3

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