ChemSpider 2D Image | 2-[4-[4-(Trifluoromethyl)phenyl]-1-piperazinyl]ethyl 2-[[7-(trifluoromethyl)-4-quinolinyl]amino]benzoate | C30H26F6N4O2

2-[4-[4-(Trifluoromethyl)phenyl]-1-piperazinyl]ethyl 2-[[7-(trifluoromethyl)-4-quinolinyl]amino]benzoate

  • Molecular FormulaC30H26F6N4O2
  • Average mass588.544 Da
  • Monoisotopic mass588.195984 Da
  • ChemSpider ID21165115

More details:

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

2-[4-[4-(Trifluoromethyl)phenyl]-1-piperazinyl]ethyl 2-[[7-(trifluoromethyl)-4-quinolinyl]amino]benzoate
2-{[7-(Trifluorométhyl)-4-quinoléinyl]amino}benzoate de 2-{4-[4-(trifluorométhyl)phényl]-1-pipérazinyl}éthyle [French] [ACD/IUPAC Name]
2-{4-[4-(Trifluormethyl)phenyl]-1-piperazinyl}ethyl-2-{[7-(trifluormethyl)-4-chinolinyl]amino}benzoat [German] [ACD/IUPAC Name]
2-{4-[4-(Trifluoromethyl)phenyl]-1-piperazinyl}ethyl 2-{[7-(trifluoromethyl)-4-quinolinyl]amino}benzoate [ACD/IUPAC Name]
288-259-8 [EINECS]
85702-69-8 [RN]
Benzoic acid, 2-[[7-(trifluoromethyl)-4-quinolinyl]amino]-, 2-[4-[4-(trifluoromethyl)phenyl]-1-piperazinyl]ethyl ester [ACD/Index Name]
2-(4-(α,α,α-Trifluoro-p-tolyl)-1-piperazinyl)ethyl o-((7-(trifluoromethyl)-4-quinolyl)amino)benzoate
2-[4-(α,α,α-trifluoro-p-tolyl)-1-piperazinyl]ethyl o-[[7-(trifluoromethyl)-4-quinolyl]amino]benzoate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 650.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.8±3.0 kJ/mol
Flash Point: 346.9±31.5 °C
Index of Refraction: 1.589
Molar Refractivity: 146.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 8.99
ACD/LogD (pH 5.5): 7.06
ACD/BCF (pH 5.5): 109755.73
ACD/KOC (pH 5.5): 108548.31
ACD/LogD (pH 7.4): 7.45
ACD/BCF (pH 7.4): 271732.53
ACD/KOC (pH 7.4): 268743.22
Polar Surface Area: 58 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 46.6±3.0 dyne/cm
Molar Volume: 433.0±3.0 cm3

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