ChemSpider 2D Image | (2E)-3-[3-(1-Benzofuran-2-yl)-1-phenyl-1H-pyrazol-4-yl]-1-[4-(2-methoxyphenyl)-1-piperazinyl]-2-propen-1-one | C31H28N4O3

(2E)-3-[3-(1-Benzofuran-2-yl)-1-phenyl-1H-pyrazol-4-yl]-1-[4-(2-methoxyphenyl)-1-piperazinyl]-2-propen-1-one

  • Molecular FormulaC31H28N4O3
  • Average mass504.579 Da
  • Monoisotopic mass504.216156 Da
  • ChemSpider ID4878447

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-[3-(1-Benzofuran-2-yl)-1-phenyl-1H-pyrazol-4-yl]-1-[4-(2-methoxyphenyl)-1-piperazinyl]-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-3-[3-(1-Benzofuran-2-yl)-1-phenyl-1H-pyrazol-4-yl]-1-[4-(2-methoxyphenyl)-1-piperazinyl]-2-propen-1-one [ACD/IUPAC Name]
(2E)-3-[3-(1-Benzofuran-2-yl)-1-phényl-1H-pyrazol-4-yl]-1-[4-(2-méthoxyphényl)-1-pipérazinyl]-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 3-[3-(2-benzofuranyl)-1-phenyl-1H-pyrazol-4-yl]-1-[4-(2-methoxyphenyl)-1-piperazinyl]-, (2E)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 751.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.5±3.0 kJ/mol
Flash Point: 408.4±32.9 °C
Index of Refraction: 1.652
Molar Refractivity: 148.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.61
ACD/LogD (pH 5.5): 4.88
ACD/BCF (pH 5.5): 2990.25
ACD/KOC (pH 5.5): 10699.48
ACD/LogD (pH 7.4): 4.88
ACD/BCF (pH 7.4): 2993.71
ACD/KOC (pH 7.4): 10711.85
Polar Surface Area: 64 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 50.1±7.0 dyne/cm
Molar Volume: 406.3±7.0 cm3

Click to predict properties on the Chemicalize site


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