ChemSpider 2D Image | antrafenine | C30H26F6N4O2

antrafenine

  • Molecular FormulaC30H26F6N4O2
  • Average mass588.544 Da
  • Monoisotopic mass588.195984 Da
  • ChemSpider ID61973

More details:






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

2-[[7-(Trifluoromethyl)-4-quinolinyl]amino]benzoic Acid 2-[4-[3-(Trifluoromethyl)phenyl]-1-piperazinyl]ethyl Ester
2-[4-(a,a,a-trifluoro-m-tolyl)-1-piperazinyl]ethyl-n-(7-trifluoromethyl-4-quinolyl)anthranilate
2-{[7-(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-{[7-(trifluormethyl)-4-chinolinyl]amino}benzoat [German] [ACD/IUPAC Name]
2-{4-[3-(Trifluoromethyl)phenyl]-1-piperazinyl}ethyl 2-{[7-(trifluoromethyl)-4-quinolinyl]amino}benzoate [ACD/IUPAC Name]
2-{4-[3-(Trifluoromethyl)phenyl]piperazin-1-yl}ethyl 2-{[7-(trifluoromethyl)quinolin-4-yl]amino}benzoate
21FS93Y6OE
3939
55300-29-3 [RN]
antrafenina [Spanish] [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

BRN 0600911 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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: 9.06
ACD/LogD (pH 5.5): 7.02
ACD/BCF (pH 5.5): 99284.07
ACD/KOC (pH 5.5): 96898.09
ACD/LogD (pH 7.4): 7.48
ACD/BCF (pH 7.4): 283556.78
ACD/KOC (pH 7.4): 276742.41
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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