ChemSpider 2D Image | (2E)-2-Cyano-N-[4-cyano-1-(4,8-dimethyl-2-quinolinyl)-1H-pyrazol-5-yl]-3-phenylacrylamide | C25H18N6O

(2E)-2-Cyano-N-[4-cyano-1-(4,8-dimethyl-2-quinolinyl)-1H-pyrazol-5-yl]-3-phenylacrylamide

  • Molecular FormulaC25H18N6O
  • Average mass418.450 Da
  • Monoisotopic mass418.154205 Da
  • ChemSpider ID34563219

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-Cyan-N-[4-cyan-1-(4,8-dimethyl-2-chinolinyl)-1H-pyrazol-5-yl]-3-phenylacrylamid [German] [ACD/IUPAC Name]
(2E)-2-Cyano-N-[4-cyano-1-(4,8-diméthyl-2-quinoléinyl)-1H-pyrazol-5-yl]-3-phénylacrylamide [French] [ACD/IUPAC Name]
(2E)-2-Cyano-N-[4-cyano-1-(4,8-dimethyl-2-quinolinyl)-1H-pyrazol-5-yl]-3-phenylacrylamide [ACD/IUPAC Name]
2-Propenamide, 2-cyano-N-[4-cyano-1-(4,8-dimethyl-2-quinolinyl)-1H-pyrazol-5-yl]-3-phenyl-, (2E)- [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: 738.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.8±3.0 kJ/mol
Flash Point: 400.6±32.9 °C
Index of Refraction: 1.670
Molar Refractivity: 125.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.00
ACD/LogD (pH 5.5): 4.50
ACD/BCF (pH 5.5): 1559.52
ACD/KOC (pH 5.5): 6715.82
ACD/LogD (pH 7.4): 4.49
ACD/BCF (pH 7.4): 1527.65
ACD/KOC (pH 7.4): 6578.60
Polar Surface Area: 107 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 52.0±7.0 dyne/cm
Molar Volume: 334.7±7.0 cm3

Click to predict properties on the Chemicalize site


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