ChemSpider 2D Image | 3-[(4Z)-4-{[3-(1-Benzofuran-2-yl)-1-phenyl-1H-pyrazol-4-yl]methylene}-5-oxo-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]propanoic acid | C30H22N4O4

3-[(4Z)-4-{[3-(1-Benzofuran-2-yl)-1-phenyl-1H-pyrazol-4-yl]methylene}-5-oxo-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]propanoic acid

  • Molecular FormulaC30H22N4O4
  • Average mass502.520 Da
  • Monoisotopic mass502.164093 Da
  • ChemSpider ID60481663

  • Double-bond stereo - Double-bond stereo

More details:

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

1H-Pyrazole-1-propanoic acid, 4-[[3-(2-benzofuranyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-4,5-dihydro-5-oxo-3-phenyl-, (4Z)- [ACD/Index Name]
3-[(4Z)-4-{[3-(1-Benzofuran-2-yl)-1-phenyl-1H-pyrazol-4-yl]methylen}-5-oxo-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]propansäure [German] [ACD/IUPAC Name]
3-[(4Z)-4-{[3-(1-Benzofuran-2-yl)-1-phenyl-1H-pyrazol-4-yl]methylene}-5-oxo-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]propanoic acid [ACD/IUPAC Name]
Acide 3-[(4Z)-4-{[3-(1-benzofuran-2-yl)-1-phényl-1H-pyrazol-4-yl]méthylène}-5-oxo-3-phényl-4,5-dihydro-1H-pyrazol-1-yl]propanoïque [French] [ACD/IUPAC Name]
3-[(4Z)-4-{[3-(1-BENZOFURAN-2-YL)-1-PHENYLPYRAZOL-4-YL]METHYLIDENE}-5-OXO-3-PHENYLPYRAZOL-1-YL]PROPANOIC ACID

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

Density: 1.3±0.1 g/cm3
Boiling Point: 739.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.2±3.0 kJ/mol
Flash Point: 400.9±35.7 °C
Index of Refraction: 1.696
Molar Refractivity: 143.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.78
ACD/LogD (pH 5.5): 3.46
ACD/BCF (pH 5.5): 132.89
ACD/KOC (pH 5.5): 545.58
ACD/LogD (pH 7.4): 1.66
ACD/BCF (pH 7.4): 2.12
ACD/KOC (pH 7.4): 8.72
Polar Surface Area: 101 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 57.6±7.0 dyne/cm
Molar Volume: 373.1±7.0 cm3

Click to predict properties on the Chemicalize site


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