ChemSpider 2D Image | 3-[4-(Benzyloxy)phenyl]-1-[2-(2-thienyl)ethyl]-4-{[4-(trifluoromethoxy)phenyl]amino}-1H-pyrrole-2,5-dione | C30H23F3N2O4S

3-[4-(Benzyloxy)phenyl]-1-[2-(2-thienyl)ethyl]-4-{[4-(trifluoromethoxy)phenyl]amino}-1H-pyrrole-2,5-dione

  • Molecular FormulaC30H23F3N2O4S
  • Average mass564.575 Da
  • Monoisotopic mass564.133057 Da
  • ChemSpider ID125653713

More details:

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

1H-Pyrrole-2,5-dione, 3-[4-(phenylmethoxy)phenyl]-1-[2-(2-thienyl)ethyl]-4-[[4-(trifluoromethoxy)phenyl]amino]- [ACD/Index Name]
3-[4-(Benzyloxy)phenyl]-1-[2-(2-thienyl)ethyl]-4-{[4-(trifluormethoxy)phenyl]amino}-1H-pyrrol-2,5-dion [German] [ACD/IUPAC Name]
3-[4-(Benzyloxy)phenyl]-1-[2-(2-thienyl)ethyl]-4-{[4-(trifluoromethoxy)phenyl]amino}-1H-pyrrole-2,5-dione [ACD/IUPAC Name]
3-[4-(Benzyloxy)phényl]-1-[2-(2-thiényl)éthyl]-4-{[4-(trifluorométhoxy)phényl]amino}-1H-pyrrole-2,5-dione [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 661.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.4±3.0 kJ/mol
Flash Point: 354.0±31.5 °C
Index of Refraction: 1.643
Molar Refractivity: 146.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 7.05
ACD/LogD (pH 5.5): 5.98
ACD/BCF (pH 5.5): 20645.51
ACD/KOC (pH 5.5): 42671.55
ACD/LogD (pH 7.4): 5.98
ACD/BCF (pH 7.4): 20645.51
ACD/KOC (pH 7.4): 42671.55
Polar Surface Area: 96 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 56.4±3.0 dyne/cm
Molar Volume: 404.0±3.0 cm3

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