ChemSpider 2D Image | 2-{4-[3-(Trifluoromethyl)phenyl]-1-piperazinyl}ethyl 2-{[8-(trifluoromethyl)-4-quinolinyl]amino}benzoate | C30H26F6N4O2

2-{4-[3-(Trifluoromethyl)phenyl]-1-piperazinyl}ethyl 2-{[8-(trifluoromethyl)-4-quinolinyl]amino}benzoate

  • Molecular FormulaC30H26F6N4O2
  • Average mass588.544 Da
  • Monoisotopic mass588.195984 Da
  • ChemSpider ID2306315

More details:

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

2-{[8-(Trifluorométhyl)-4-quinoléinyl]amino}benzoate de 2-{4-[3-(trifluorométhyl)phényl]-1-pipérazinyl}éthyle [French] [ACD/IUPAC Name]
2-{4-[3-(Trifluormethyl)phenyl]-1-piperazinyl}ethyl-2-{[8-(trifluormethyl)-4-chinolinyl]amino}benzoat [German] [ACD/IUPAC Name]
2-{4-[3-(Trifluoromethyl)phenyl]-1-piperazinyl}ethyl 2-{[8-(trifluoromethyl)-4-quinolinyl]amino}benzoate [ACD/IUPAC Name]
Benzoic acid, 2-[[8-(trifluoromethyl)-4-quinolinyl]amino]-, 2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]ethyl ester [ACD/Index Name]
55300-47-5 [RN]
BENZOIC ACID 2-((8-(TRIFLUOROMETHYL)-4-QUINOLINYL)AMINO)-,2-(4-(3-(TRIFLUOROMETHYL)PHENYL)-(PIPERAZIN-1-YL))ETHYL ESTER
Benzoic acid, 2-((8-(trifluoromethyl)-4-quinolinyl)amino)-, 2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl ester

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

Density: 1.4±0.1 g/cm3
Boiling Point: 648.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.6±3.0 kJ/mol
Flash Point: 345.7±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: 8.55
ACD/LogD (pH 5.5): 6.80
ACD/BCF (pH 5.5): 66067.99
ACD/KOC (pH 5.5): 71296.68
ACD/LogD (pH 7.4): 7.28
ACD/BCF (pH 7.4): 198934.39
ACD/KOC (pH 7.4): 214678.27
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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