ChemSpider 2D Image | (2E)-N-(1,3-Benzodioxol-5-ylmethyl)-N-[(1-butyl-2-phenyl-1H-imidazol-5-yl)methyl]-3-[3-(trifluoromethyl)phenyl]-2-propen-1-amine | C32H32F3N3O2

(2E)-N-(1,3-Benzodioxol-5-ylmethyl)-N-[(1-butyl-2-phenyl-1H-imidazol-5-yl)methyl]-3-[3-(trifluoromethyl)phenyl]-2-propen-1-amine

  • Molecular FormulaC32H32F3N3O2
  • Average mass547.611 Da
  • Monoisotopic mass547.244690 Da
  • ChemSpider ID8205954

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-N-(1,3-Benzodioxol-5-ylmethyl)-N-[(1-butyl-2-phenyl-1H-imidazol-5-yl)methyl]-3-[3-(trifluormethyl)phenyl]-2-propen-1-amin [German] [ACD/IUPAC Name]
(2E)-N-(1,3-Benzodioxol-5-ylmethyl)-N-[(1-butyl-2-phenyl-1H-imidazol-5-yl)methyl]-3-[3-(trifluoromethyl)phenyl]-2-propen-1-amine [ACD/IUPAC Name]
(2E)-N-(1,3-Benzodioxol-5-ylméthyl)-N-[(1-butyl-2-phényl-1H-imidazol-5-yl)méthyl]-3-[3-(trifluorométhyl)phényl]-2-propén-1-amine [French] [ACD/IUPAC Name]
1H-Imidazole-5-methanamine, N-(1,3-benzodioxol-5-ylmethyl)-1-butyl-2-phenyl-N-[(2E)-3-[3-(trifluoromethyl)phenyl]-2-propen-1-yl]- [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: 646.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.3±3.0 kJ/mol
Flash Point: 344.5±34.3 °C
Index of Refraction: 1.575
Molar Refractivity: 151.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 8.07
ACD/LogD (pH 5.5): 4.95
ACD/BCF (pH 5.5): 1535.54
ACD/KOC (pH 5.5): 2595.11
ACD/LogD (pH 7.4): 6.29
ACD/BCF (pH 7.4): 33765.77
ACD/KOC (pH 7.4): 57065.09
Polar Surface Area: 40 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 40.2±7.0 dyne/cm
Molar Volume: 456.8±7.0 cm3

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