ChemSpider 2D Image | (4E)-4-{[3-(1-Benzofuran-2-yl)-1-phenyl-1H-pyrazol-4-yl]methylene}-2-methyl-1,2,3,4-tetrahydro-9-acridinecarboxylic acid | C33H25N3O3

(4E)-4-{[3-(1-Benzofuran-2-yl)-1-phenyl-1H-pyrazol-4-yl]methylene}-2-methyl-1,2,3,4-tetrahydro-9-acridinecarboxylic acid

  • Molecular FormulaC33H25N3O3
  • Average mass511.570 Da
  • Monoisotopic mass511.189606 Da
  • ChemSpider ID22838007

  • Double-bond stereo - Double-bond stereo

More details:

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

(4E)-4-{[3-(1-Benzofuran-2-yl)-1-phenyl-1H-pyrazol-4-yl]methylen}-2-methyl-1,2,3,4-tetrahydro-9-acridincarbonsäure [German] [ACD/IUPAC Name]
(4E)-4-{[3-(1-Benzofuran-2-yl)-1-phenyl-1H-pyrazol-4-yl]methylene}-2-methyl-1,2,3,4-tetrahydro-9-acridinecarboxylic acid [ACD/IUPAC Name]
9-Acridinecarboxylic acid, 4-[[3-(2-benzofuranyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-1,2,3,4-tetrahydro-2-methyl-, (4E)- [ACD/Index Name]
Acide (4E)-4-{[3-(1-benzofuran-2-yl)-1-phényl-1H-pyrazol-4-yl]méthylène}-2-méthyl-1,2,3,4-tétrahydro-9-acridinecarboxylique [French] [ACD/IUPAC 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: 737.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.9±3.0 kJ/mol
Flash Point: 399.8±32.9 °C
Index of Refraction: 1.709
Molar Refractivity: 149.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 8.96
ACD/LogD (pH 5.5): 5.03
ACD/BCF (pH 5.5): 965.83
ACD/KOC (pH 5.5): 911.74
ACD/LogD (pH 7.4): 4.43
ACD/BCF (pH 7.4): 241.14
ACD/KOC (pH 7.4): 227.63
Polar Surface Area: 81 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 54.2±7.0 dyne/cm
Molar Volume: 383.8±7.0 cm3

Click to predict properties on the Chemicalize site


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