ChemSpider 2D Image | 1-(4-Chlorophenyl)-4-(4-morpholinyl)-6-{4-[(2E)-3-phenyl-2-propen-1-yl]-1-piperazinyl}-1H-pyrazolo[3,4-d]pyrimidine | C28H30ClN7O

1-(4-Chlorophenyl)-4-(4-morpholinyl)-6-{4-[(2E)-3-phenyl-2-propen-1-yl]-1-piperazinyl}-1H-pyrazolo[3,4-d]pyrimidine

  • Molecular FormulaC28H30ClN7O
  • Average mass516.037 Da
  • Monoisotopic mass515.220032 Da
  • ChemSpider ID125736040

  • Double-bond stereo - Double-bond stereo

More details:

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

1-(4-Chlorophenyl)-4-(4-morpholinyl)-6-{4-[(2E)-3-phenyl-2-propen-1-yl]-1-piperazinyl}-1H-pyrazolo[3,4-d]pyrimidine [ACD/IUPAC Name]
1-(4-Chlorophényl)-4-(4-morpholinyl)-6-{4-[(2E)-3-phényl-2-propén-1-yl]-1-pipérazinyl}-1H-pyrazolo[3,4-d]pyrimidine [French] [ACD/IUPAC Name]
1-(4-Chlorphenyl)-4-(4-morpholinyl)-6-{4-[(2E)-3-phenyl-2-propen-1-yl]-1-piperazinyl}-1H-pyrazolo[3,4-d]pyrimidin [German] [ACD/IUPAC Name]
1H-Pyrazolo[3,4-d]pyrimidine, 1-(4-chlorophenyl)-4-(4-morpholinyl)-6-[4-[(2E)-3-phenyl-2-propen-1-yl]-1-piperazinyl]- [ACD/Index 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: 687.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.8±3.0 kJ/mol
Flash Point: 369.7±34.3 °C
Index of Refraction: 1.691
Molar Refractivity: 147.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.01
ACD/LogD (pH 5.5): 3.09
ACD/BCF (pH 5.5): 62.54
ACD/KOC (pH 5.5): 281.55
ACD/LogD (pH 7.4): 4.35
ACD/BCF (pH 7.4): 1143.11
ACD/KOC (pH 7.4): 5145.77
Polar Surface Area: 63 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 55.6±7.0 dyne/cm
Molar Volume: 384.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement