ChemSpider 2D Image | 4-(Benzyloxy)-N-[(1E)-1-(4-benzylphenyl)-1-cyano-3,3-dimethyl-1-buten-2-yl]-3-chlorobenzamide | C34H31ClN2O2

4-(Benzyloxy)-N-[(1E)-1-(4-benzylphenyl)-1-cyano-3,3-dimethyl-1-buten-2-yl]-3-chlorobenzamide

  • Molecular FormulaC34H31ClN2O2
  • Average mass535.075 Da
  • Monoisotopic mass534.207397 Da
  • ChemSpider ID8251356

  • Double-bond stereo - Double-bond stereo

More details:

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

4-(Benzyloxy)-N-[(1E)-1-(4-benzylphenyl)-1-cyan-3,3-dimethyl-1-buten-2-yl]-3-chlorbenzamid [German] [ACD/IUPAC Name]
4-(Benzyloxy)-N-[(1E)-1-(4-benzylphenyl)-1-cyano-3,3-dimethyl-1-buten-2-yl]-3-chlorobenzamide [ACD/IUPAC Name]
4-(Benzyloxy)-N-[(1E)-1-(4-benzylphényl)-1-cyano-3,3-diméthyl-1-butén-2-yl]-3-chlorobenzamide [French] [ACD/IUPAC Name]
Benzamide, 3-chloro-N-[(1E)-1-[cyano[4-(phenylmethyl)phenyl]methylene]-2,2-dimethylpropyl]-4-(phenylmethoxy)- [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: 714.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.5±3.0 kJ/mol
Flash Point: 386.0±32.9 °C
Index of Refraction: 1.611
Molar Refractivity: 157.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 8.92
ACD/LogD (pH 5.5): 7.94
ACD/BCF (pH 5.5): 641244.31
ACD/KOC (pH 5.5): 499156.75
ACD/LogD (pH 7.4): 7.94
ACD/BCF (pH 7.4): 640863.50
ACD/KOC (pH 7.4): 498860.34
Polar Surface Area: 62 Å2
Polarizability: 62.5±0.5 10-24cm3
Surface Tension: 47.8±3.0 dyne/cm
Molar Volume: 453.8±3.0 cm3

Click to predict properties on the Chemicalize site


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