ChemSpider 2D Image | (1S)-4-Fluoro-1-[3-(5-pyrimidinyl)phenyl]-1-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-3-amine | C24H15F4N5

(1S)-4-Fluoro-1-[3-(5-pyrimidinyl)phenyl]-1-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-3-amine

  • Molecular FormulaC24H15F4N5
  • Average mass449.403 Da
  • Monoisotopic mass449.126343 Da
  • ChemSpider ID29315042

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1S)-4-Fluor-1-[3-(5-pyrimidinyl)phenyl]-1-[2-(trifluormethyl)-4-pyridinyl]-1H-isoindol-3-amin [German] [ACD/IUPAC Name]
(1S)-4-Fluoro-1-[3-(5-pyrimidinyl)phenyl]-1-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-3-amine [ACD/IUPAC Name]
(1S)-4-Fluoro-1-[3-(5-pyrimidinyl)phényl]-1-[2-(trifluorométhyl)-4-pyridinyl]-1H-isoindol-3-amine [French] [ACD/IUPAC Name]
1H-Isoindol-3-amine, 4-fluoro-1-[3-(5-pyrimidinyl)phenyl]-1-[2-(trifluoromethyl)-4-pyridinyl]-, (1S)- [ACD/Index Name]
1227163-56-5 [RN]
AZD3839

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

Density: 1.4±0.1 g/cm3
Boiling Point: 574.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.1±3.0 kJ/mol
Flash Point: 301.5±32.9 °C
Index of Refraction: 1.654
Molar Refractivity: 115.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.95
ACD/LogD (pH 5.5): 2.97
ACD/BCF (pH 5.5): 106.75
ACD/KOC (pH 5.5): 984.83
ACD/LogD (pH 7.4): 2.97
ACD/BCF (pH 7.4): 106.89
ACD/KOC (pH 7.4): 986.11
Polar Surface Area: 77 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 47.4±7.0 dyne/cm
Molar Volume: 313.9±7.0 cm3

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