ChemSpider 2D Image | (2E)-2-Cyano-N-(4-ethoxyphenyl)-3-{3-[4-(hexyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}acrylamide | C33H34N4O3

(2E)-2-Cyano-N-(4-ethoxyphenyl)-3-{3-[4-(hexyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}acrylamide

  • Molecular FormulaC33H34N4O3
  • Average mass534.648 Da
  • Monoisotopic mass534.263062 Da
  • ChemSpider ID4865691

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-Cyan-N-(4-ethoxyphenyl)-3-{3-[4-(hexyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}acrylamid [German] [ACD/IUPAC Name]
(2E)-2-Cyano-N-(4-ethoxyphenyl)-3-{3-[4-(hexyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}acrylamide [ACD/IUPAC Name]
(2E)-2-Cyano-N-(4-éthoxyphényl)-3-{3-[4-(hexyloxy)phényl]-1-phényl-1H-pyrazol-4-yl}acrylamide [French] [ACD/IUPAC Name]
2-Propenamide, 2-cyano-N-(4-ethoxyphenyl)-3-[3-[4-(hexyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl]-, (2E)- [ACD/Index Name]
(2E)-2-cyano-N-(4-ethoxyphenyl)-3-[3-(4-hexyloxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide
(2E)-2-cyano-N-(4-ethoxyphenyl)-3-{3-[4-(hexyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}prop-2-enamide
(E)-2-cyano-N-(4-ethoxyphenyl)-3-[3-(4-hexoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide
956795-72-5 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 749.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.2±3.0 kJ/mol
Flash Point: 406.8±32.9 °C
Index of Refraction: 1.588
Molar Refractivity: 159.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 8.39
ACD/LogD (pH 5.5): 7.36
ACD/BCF (pH 5.5): 231586.47
ACD/KOC (pH 5.5): 240785.55
ACD/LogD (pH 7.4): 7.36
ACD/BCF (pH 7.4): 231344.78
ACD/KOC (pH 7.4): 240534.27
Polar Surface Area: 89 Å2
Polarizability: 63.3±0.5 10-24cm3
Surface Tension: 43.6±7.0 dyne/cm
Molar Volume: 474.4±7.0 cm3

Click to predict properties on the Chemicalize site


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