ChemSpider 2D Image | AZD3839 | C24H18F3N5

AZD3839

  • Molecular FormulaC24H18F3N5
  • Average mass433.428 Da
  • Monoisotopic mass433.151428 Da
  • ChemSpider ID34980769

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(3S)-3-[2-(Difluormethyl)-4-pyridinyl]-7-fluor-3-[3-(5-pyrimidinyl)phenyl]-1-isoindolinamin [German] [ACD/IUPAC Name]
(3S)-3-[2-(Difluoromethyl)-4-pyridinyl]-7-fluoro-3-[3-(5-pyrimidinyl)phenyl]-1-isoindolinamine [ACD/IUPAC Name]
(3S)-3-[2-(Difluorométhyl)-4-pyridinyl]-7-fluoro-3-[3-(5-pyrimidinyl)phényl]-1-isoindolinamine [French] [ACD/IUPAC Name]
1H-Isoindol-1-amine, 3-[2-(difluoromethyl)-4-pyridinyl]-7-fluoro-2,3-dihydro-3-[3-(5-pyrimidinyl)phenyl]-, (3S)- [ACD/Index Name]
AZD3839
(1s)-1-[2-(Difluoromethyl)pyridin-4-Yl]-4-Fluoro-1-(3-Pyrimidin-5-Ylphenyl)-1h-Isoindol-3-Amine
(3S)-3-[2-(difluoromethyl)pyridin-4-yl]-7-fluoro-3-[3-(pyrimidin-5-yl)phenyl]-2,3-dihydro-1H-isoindol-1-amine
32D
AZD 3839
AZD 3839|AZD-3839
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 557.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.9±3.0 kJ/mol
Flash Point: 290.8±30.1 °C
Index of Refraction: 1.614
Molar Refractivity: 113.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.79
ACD/LogD (pH 5.5): -0.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.01
ACD/BCF (pH 7.4): 2.20
ACD/KOC (pH 7.4): 35.73
Polar Surface Area: 77 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 54.2±3.0 dyne/cm
Molar Volume: 326.0±3.0 cm3

Click to predict properties on the Chemicalize site


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