ChemSpider 2D Image | 3-(4-Bromophenyl)-1-(2-methoxybenzyl)-4-{[3-(trifluoromethyl)benzyl]amino}-1H-pyrrole-2,5-dione | C26H20BrF3N2O3

3-(4-Bromophenyl)-1-(2-methoxybenzyl)-4-{[3-(trifluoromethyl)benzyl]amino}-1H-pyrrole-2,5-dione

  • Molecular FormulaC26H20BrF3N2O3
  • Average mass545.348 Da
  • Monoisotopic mass544.060913 Da
  • ChemSpider ID125375076

More details:

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

1H-Pyrrole-2,5-dione, 3-(4-bromophenyl)-1-[(2-methoxyphenyl)methyl]-4-[[[3-(trifluoromethyl)phenyl]methyl]amino]- [ACD/Index Name]
3-(4-Bromophenyl)-1-(2-methoxybenzyl)-4-{[3-(trifluoromethyl)benzyl]amino}-1H-pyrrole-2,5-dione [ACD/IUPAC Name]
3-(4-Bromophényl)-1-(2-méthoxybenzyl)-4-{[3-(trifluorométhyl)benzyl]amino}-1H-pyrrole-2,5-dione [French] [ACD/IUPAC Name]
3-(4-Bromphenyl)-1-(2-methoxybenzyl)-4-{[3-(trifluormethyl)benzyl]amino}-1H-pyrrol-2,5-dion [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 614.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.2±3.0 kJ/mol
Flash Point: 325.5±31.5 °C
Index of Refraction: 1.642
Molar Refractivity: 128.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.31
ACD/LogD (pH 5.5): 5.71
ACD/BCF (pH 5.5): 12857.91
ACD/KOC (pH 5.5): 30404.13
ACD/LogD (pH 7.4): 5.71
ACD/BCF (pH 7.4): 12857.93
ACD/KOC (pH 7.4): 30404.16
Polar Surface Area: 59 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 57.9±5.0 dyne/cm
Molar Volume: 354.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement