ChemSpider 2D Image | 5-Phenyl-N-{2-[4-(4-phenyl-1-piperazinyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl}-1,2-oxazole-3-carboxamide | C27H26N8O2

5-Phenyl-N-{2-[4-(4-phenyl-1-piperazinyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl}-1,2-oxazole-3-carboxamide

  • Molecular FormulaC27H26N8O2
  • Average mass494.548 Da
  • Monoisotopic mass494.217865 Da
  • ChemSpider ID26305838

More details:

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

3-Isoxazolecarboxamide, 5-phenyl-N-[2-[4-(4-phenyl-1-piperazinyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]- [ACD/Index Name]
5-Phenyl-N-{2-[4-(4-phenyl-1-piperazinyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl}-1,2-oxazol-3-carboxamid [German] [ACD/IUPAC Name]
5-Phenyl-N-{2-[4-(4-phenyl-1-piperazinyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl}-1,2-oxazole-3-carboxamide [ACD/IUPAC Name]
5-Phényl-N-{2-[4-(4-phényl-1-pipérazinyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]éthyl}-1,2-oxazole-3-carboxamide [French] [ACD/IUPAC Name]
1170371-25-1 [RN]
5-phenyl-N-(2-(4-(4-phenylpiperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl)isoxazole-3-carboxamide
5-phenyl-N-{2-[4-(4-phenylpiperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl}-1,2-oxazole-3-carboxamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 782.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.9±3.0 kJ/mol
Flash Point: 427.2±32.9 °C
Index of Refraction: 1.725
Molar Refractivity: 141.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.31
ACD/LogD (pH 5.5): 3.03
ACD/BCF (pH 5.5): 105.65
ACD/KOC (pH 5.5): 854.44
ACD/LogD (pH 7.4): 3.23
ACD/BCF (pH 7.4): 168.62
ACD/KOC (pH 7.4): 1363.76
Polar Surface Area: 105 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 61.3±7.0 dyne/cm
Molar Volume: 355.2±7.0 cm3

Click to predict properties on the Chemicalize site


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