ChemSpider 2D Image | 4-({(2Z)-2-Cyano-3-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]-2-propenoyl}amino)-N,N-dimethylbenzamide | C28H22FN5O2

4-({(2Z)-2-Cyano-3-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]-2-propenoyl}amino)-N,N-dimethylbenzamide

  • Molecular FormulaC28H22FN5O2
  • Average mass479.505 Da
  • Monoisotopic mass479.175751 Da
  • ChemSpider ID31274666

More details:

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

4-({(2Z)-2-Cyan-3-[3-(4-fluorphenyl)-1-phenyl-1H-pyrazol-4-yl]-2-propenoyl}amino)-N,N-dimethylbenzamid [German] [ACD/IUPAC Name]
4-({(2Z)-2-Cyano-3-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]-2-propenoyl}amino)-N,N-dimethylbenzamide [ACD/IUPAC Name]
4-({(2Z)-2-Cyano-3-[3-(4-fluorophényl)-1-phényl-1H-pyrazol-4-yl]-2-propenoyl}amino)-N,N-diméthylbenzamide [French] [ACD/IUPAC Name]
Benzamide, 4-[[(2Z)-2-cyano-3-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]-1-oxo-2-propen-1-yl]amino]-N,N-dimethyl- [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: 750.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.4±3.0 kJ/mol
Flash Point: 407.6±32.9 °C
Index of Refraction: 1.624
Molar Refractivity: 138.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.02
ACD/LogD (pH 5.5): 3.74
ACD/BCF (pH 5.5): 412.99
ACD/KOC (pH 5.5): 2594.74
ACD/LogD (pH 7.4): 3.74
ACD/BCF (pH 7.4): 412.68
ACD/KOC (pH 7.4): 2592.79
Polar Surface Area: 91 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 47.1±7.0 dyne/cm
Molar Volume: 392.2±7.0 cm3

Click to predict properties on the Chemicalize site


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