ChemSpider 2D Image | (2Z)-N-Benzyl-2-cyano-3-(3-{4-[(4-methylbenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)acrylamide | C34H28N4O2

(2Z)-N-Benzyl-2-cyano-3-(3-{4-[(4-methylbenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)acrylamide

  • Molecular FormulaC34H28N4O2
  • Average mass524.612 Da
  • Monoisotopic mass524.221252 Da
  • ChemSpider ID4897750

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-N-Benzyl-2-cyan-3-(3-{4-[(4-methylbenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)acrylamid [German] [ACD/IUPAC Name]
(2Z)-N-Benzyl-2-cyano-3-(3-{4-[(4-methylbenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)acrylamide [ACD/IUPAC Name]
(2Z)-N-Benzyl-2-cyano-3-(3-{4-[(4-méthylbenzyl)oxy]phényl}-1-phényl-1H-pyrazol-4-yl)acrylamide [French] [ACD/IUPAC Name]
2-Propenamide, 2-cyano-3-[3-[4-[(4-methylphenyl)methoxy]phenyl]-1-phenyl-1H-pyrazol-4-yl]-N-(phenylmethyl)-, (2Z)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 786.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.4±3.0 kJ/mol
Flash Point: 429.6±32.9 °C
Index of Refraction: 1.621
Molar Refractivity: 160.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.08
ACD/LogD (pH 5.5): 6.05
ACD/BCF (pH 5.5): 23234.42
ACD/KOC (pH 5.5): 46436.87
ACD/LogD (pH 7.4): 6.05
ACD/BCF (pH 7.4): 23234.09
ACD/KOC (pH 7.4): 46436.21
Polar Surface Area: 80 Å2
Polarizability: 63.6±0.5 10-24cm3
Surface Tension: 46.4±7.0 dyne/cm
Molar Volume: 456.4±7.0 cm3

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