ChemSpider 2D Image | 4-[(4-{[2-(Trifluoromethoxy)phenyl]amino}-2-pyrimidinyl)amino]benzoic acid | C18H13F3N4O3

4-[(4-{[2-(Trifluoromethoxy)phenyl]amino}-2-pyrimidinyl)amino]benzoic acid

  • Molecular FormulaC18H13F3N4O3
  • Average mass390.316 Da
  • Monoisotopic mass390.093964 Da
  • ChemSpider ID28643045

More details:

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

4-[(4-{[2-(Trifluormethoxy)phenyl]amino}-2-pyrimidinyl)amino]benzoesäure [German] [ACD/IUPAC Name]
4-[(4-{[2-(Trifluoromethoxy)phenyl]amino}-2-pyrimidinyl)amino]benzoic acid [ACD/IUPAC Name]
4-[(4-{[2-(Trifluoromethoxy)phenyl]amino}pyrimidin-2-Yl)amino]benzoic Acid
Acide 4-[(4-{[2-(trifluorométhoxy)phényl]amino}-2-pyrimidinyl)amino]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[4-[[2-(trifluoromethoxy)phenyl]amino]-2-pyrimidinyl]amino]- [ACD/Index Name]
0C8
Bisanilinopyrimidine inhibitor, 5
Bisanilinopyrimidine, 6d

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

Density: 1.5±0.1 g/cm3
Boiling Point: 552.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.6±3.0 kJ/mol
Flash Point: 287.6±32.9 °C
Index of Refraction: 1.651
Molar Refractivity: 95.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.71
ACD/LogD (pH 5.5): 3.27
ACD/BCF (pH 5.5): 77.09
ACD/KOC (pH 5.5): 286.68
ACD/LogD (pH 7.4): 2.02
ACD/BCF (pH 7.4): 4.33
ACD/KOC (pH 7.4): 16.12
Polar Surface Area: 96 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 59.5±3.0 dyne/cm
Molar Volume: 260.9±3.0 cm3

Click to predict properties on the Chemicalize site


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