ChemSpider 2D Image | 4-({(4-Carboxybutyl)[2-(5-fluoro-2-{[4'-(trifluoromethyl)-4-biphenylyl]methoxy}phenyl)ethyl]amino}methyl)benzoic acid | C35H33F4NO5

4-({(4-Carboxybutyl)[2-(5-fluoro-2-{[4'-(trifluoromethyl)-4-biphenylyl]methoxy}phenyl)ethyl]amino}methyl)benzoic acid

  • Molecular FormulaC35H33F4NO5
  • Average mass623.634 Da
  • Monoisotopic mass623.229492 Da
  • ChemSpider ID19819767

More details:






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

4-({(4-Carboxybutyl)[2-(5-fluor-2-{[4'-(trifluormethyl)-4-biphenylyl]methoxy}phenyl)ethyl]amino}methyl)benzoesäure [German] [ACD/IUPAC Name]
4-({(4-Carboxybutyl)[2-(5-fluoro-2-{[4'-(trifluoromethyl)-4-biphenylyl]methoxy}phenyl)ethyl]amino}methyl)benzoic acid [ACD/IUPAC Name]
4-({(4-Carboxybutyl)[2-(5-Fluoro-2-{[4'-(Trifluoromethyl)biphenyl-4-Yl]methoxy}phenyl)ethyl]amino}methyl)benzoic Acid
Acide 4-({(4-carboxybutyl)[2-(5-fluoro-2-{[4'-(trifluorométhyl)-4-biphénylyl]méthoxy}phényl)éthyl]amino}méthyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[(4-carboxybutyl)[2-[5-fluoro-2-[[4'-(trifluoromethyl)[1,1'-biphenyl]-4-yl]methoxy]phenyl]ethyl]amino]methyl]- [ACD/Index Name]
1027642-43-8 [RN]
1DX
4-[((4-Carboxy-butyl)-{2-[5-fluoro-2-(4'-trifluoromethyl-biphenyl-4-ylmethoxy)-phenyl]-ethyl}-amino)-methyl]-benzoic acid
4-[[(4-Carboxybutyl)[2-[5-fluoro-2-[[4'-(trifluoromethyl)[1,1'-biphenyl]-4-yl]methoxy]phenyl]ethyl]amino]methyl]benzoic acid
BAY 60-2770

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

Density: 1.3±0.0 g/cm3
Boiling Point: 733.5±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 112.3±0.0 kJ/mol
Flash Point: 397.4±0.0 °C
Index of Refraction: 1.579
Molar Refractivity: 161.0±0.0 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 6.08
ACD/LogD (pH 5.5): 2.93
ACD/BCF (pH 5.5): 17.50
ACD/KOC (pH 5.5): 34.47
ACD/LogD (pH 7.4): 2.53
ACD/BCF (pH 7.4): 6.96
ACD/KOC (pH 7.4): 13.71
Polar Surface Area: 87 Å2
Polarizability: 63.8±0.0 10-24cm3
Surface Tension: 47.5±0.0 dyne/cm
Molar Volume: 484.1±0.0 cm3

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