ChemSpider 2D Image | 2-[(1R)-1-{[3-Amino-6-(2-methoxy-3-pyridinyl)-2-pyrazinyl]oxy}ethyl]-4-fluoro-N-methylbenzamide | C20H20FN5O3

2-[(1R)-1-{[3-Amino-6-(2-methoxy-3-pyridinyl)-2-pyrazinyl]oxy}ethyl]-4-fluoro-N-methylbenzamide

  • Molecular FormulaC20H20FN5O3
  • Average mass397.403 Da
  • Monoisotopic mass397.155029 Da
  • ChemSpider ID34219718
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

2-[(1R)-1-{[3-Amino-6-(2-methoxy-3-pyridinyl)-2-pyrazinyl]oxy}ethyl]-4-fluor-N-methylbenzamid [German] [ACD/IUPAC Name]
2-[(1R)-1-{[3-Amino-6-(2-methoxy-3-pyridinyl)-2-pyrazinyl]oxy}ethyl]-4-fluoro-N-methylbenzamide [ACD/IUPAC Name]
2-[(1R)-1-{[3-Amino-6-(2-méthoxy-3-pyridinyl)-2-pyrazinyl]oxy}éthyl]-4-fluoro-N-méthylbenzamide [French] [ACD/IUPAC Name]
2-[(1r)-1-{[3-Amino-6-(2-Methoxypyridin-3-Yl)pyrazin-2-Yl]oxy}ethyl]-4-Fluoro-N-Methylbenzamide
Benzamide, 2-[(1R)-1-[[3-amino-6-(2-methoxy-3-pyridinyl)-2-pyrazinyl]oxy]ethyl]-4-fluoro-N-methyl- [ACD/Index Name]
YPW

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

Density: 1.3±0.1 g/cm3
Boiling Point: 528.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.4±3.0 kJ/mol
Flash Point: 273.7±30.1 °C
Index of Refraction: 1.603
Molar Refractivity: 105.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 61.54
ACD/KOC (pH 5.5): 664.16
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 61.56
ACD/KOC (pH 7.4): 664.36
Polar Surface Area: 112 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 54.1±3.0 dyne/cm
Molar Volume: 307.2±3.0 cm3

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