ChemSpider 2D Image | (2Z)-2-Cyano-N-cyclohexyl-3-(3-{4-[(2-fluorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)acrylamide | C32H29FN4O2

(2Z)-2-Cyano-N-cyclohexyl-3-(3-{4-[(2-fluorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)acrylamide

  • Molecular FormulaC32H29FN4O2
  • Average mass520.597 Da
  • Monoisotopic mass520.227478 Da
  • ChemSpider ID12055749

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-Cyan-N-cyclohexyl-3-(3-{4-[(2-fluorbenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)acrylamid [German] [ACD/IUPAC Name]
(2Z)-2-Cyano-N-cyclohexyl-3-(3-{4-[(2-fluorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)acrylamide [ACD/IUPAC Name]
(2Z)-2-Cyano-N-cyclohexyl-3-(3-{4-[(2-fluorobenzyl)oxy]phényl}-1-phényl-1H-pyrazol-4-yl)acrylamide [French] [ACD/IUPAC Name]
2-Propenamide, 2-cyano-N-cyclohexyl-3-[3-[4-[(2-fluorophenyl)methoxy]phenyl]-1-phenyl-1H-pyrazol-4-yl]-, (2Z)- [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: 754.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.9±3.0 kJ/mol
Flash Point: 410.0±32.9 °C
Index of Refraction: 1.625
Molar Refractivity: 151.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.74
ACD/LogD (pH 5.5): 5.72
ACD/BCF (pH 5.5): 13127.17
ACD/KOC (pH 5.5): 30858.52
ACD/LogD (pH 7.4): 5.72
ACD/BCF (pH 7.4): 13126.83
ACD/KOC (pH 7.4): 30857.71
Polar Surface Area: 80 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 47.2±7.0 dyne/cm
Molar Volume: 428.0±7.0 cm3

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