ChemSpider 2D Image | (1S)-4-fluoro-1-(4-fluoro-3-pyrimidin-5-ylphenyl)-1-[2-(trifluoromethyl)pyridin-4-yl]-1H-isoindol-3-amine | C24H14F5N5

(1S)-4-fluoro-1-(4-fluoro-3-pyrimidin-5-ylphenyl)-1-[2-(trifluoromethyl)pyridin-4-yl]-1H-isoindol-3-amine

  • Molecular FormulaC24H14F5N5
  • Average mass467.393 Da
  • Monoisotopic mass467.116943 Da
  • ChemSpider ID28667797

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1S)-4-Fluor-1-[4-fluor-3-(5-pyrimidinyl)phenyl]-1-[2-(trifluormethyl)-4-pyridinyl]-1H-isoindol-3-amin [German] [ACD/IUPAC Name]
(1S)-4-fluoro-1-(4-fluoro-3-pyrimidin-5-ylphenyl)-1-[2-(trifluoromethyl)pyridin-4-yl]-1H-isoindol-3-amine
(1S)-4-Fluoro-1-[4-fluoro-3-(5-pyrimidinyl)phenyl]-1-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-3-amine [ACD/IUPAC Name]
(1S)-4-Fluoro-1-[4-fluoro-3-(5-pyrimidinyl)phényl]-1-[2-(trifluorométhyl)-4-pyridinyl]-1H-isoindol-3-amine [French] [ACD/IUPAC Name]
1H-Isoindol-3-amine, 4-fluoro-1-[4-fluoro-3-(5-pyrimidinyl)phenyl]-1-[2-(trifluoromethyl)-4-pyridinyl]-, (1S)- [ACD/Index Name]
(S)-4-Fluoro-1-(4-fluoro-3-(pyrimidin-5-yl)phenyl)-1-(2-(trifluoromethyl)pyridin-4-yl)-1H-isoindol-3-amine
1227163-49-6 [RN]
AZD-3289

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

Density: 1.5±0.1 g/cm3
Boiling Point: 563.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.6±3.0 kJ/mol
Flash Point: 294.3±32.9 °C
Index of Refraction: 1.646
Molar Refractivity: 115.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.46
ACD/LogD (pH 5.5): 3.18
ACD/BCF (pH 5.5): 153.43
ACD/KOC (pH 5.5): 1276.77
ACD/LogD (pH 7.4): 3.18
ACD/BCF (pH 7.4): 153.63
ACD/KOC (pH 7.4): 1278.43
Polar Surface Area: 77 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 45.7±7.0 dyne/cm
Molar Volume: 316.8±7.0 cm3

Click to predict properties on the Chemicalize site


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