ChemSpider 2D Image | 3-[3,5-Bis(trifluoromethyl)phenyl]-1-isopropyl-4-{[2-(2-thienyl)ethyl]amino}-1H-pyrrole-2,5-dione | C21H18F6N2O2S

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

  • Molecular FormulaC21H18F6N2O2S
  • Average mass476.435 Da
  • Monoisotopic mass476.099304 Da
  • ChemSpider ID125432862

More details:

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

1H-Pyrrole-2,5-dione, 3-[3,5-bis(trifluoromethyl)phenyl]-1-(1-methylethyl)-4-[[2-(2-thienyl)ethyl]amino]- [ACD/Index Name]
3-[3,5-Bis(trifluormethyl)phenyl]-1-isopropyl-4-{[2-(2-thienyl)ethyl]amino}-1H-pyrrol-2,5-dion [German] [ACD/IUPAC Name]
3-[3,5-Bis(trifluoromethyl)phenyl]-1-isopropyl-4-{[2-(2-thienyl)ethyl]amino}-1H-pyrrole-2,5-dione [ACD/IUPAC Name]
3-[3,5-Bis(trifluorométhyl)phényl]-1-isopropyl-4-{[2-(2-thiényl)éthyl]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: 500.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.9±3.0 kJ/mol
Flash Point: 256.2±30.1 °C
Index of Refraction: 1.554
Molar Refractivity: 106.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.16
ACD/LogD (pH 5.5): 4.57
ACD/BCF (pH 5.5): 1749.22
ACD/KOC (pH 5.5): 7291.64
ACD/LogD (pH 7.4): 4.57
ACD/BCF (pH 7.4): 1749.24
ACD/KOC (pH 7.4): 7291.70
Polar Surface Area: 78 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 45.0±5.0 dyne/cm
Molar Volume: 332.2±5.0 cm3

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