ChemSpider 2D Image | 4-{2-Amino-6-[(1R)-2,2,2-trifluoro-1-(3'-fluoro-4-biphenylyl)ethoxy]-4-pyrimidinyl}-L-phenylalanine | C27H22F4N4O3

4-{2-Amino-6-[(1R)-2,2,2-trifluoro-1-(3'-fluoro-4-biphenylyl)ethoxy]-4-pyrimidinyl}-L-phenylalanine

  • Molecular FormulaC27H22F4N4O3
  • Average mass526.482 Da
  • Monoisotopic mass526.162781 Da
  • ChemSpider ID25060751

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-{2-Amino-6-[(1R)-2,2,2-trifluor-1-(3'-fluor-4-biphenylyl)ethoxy]-4-pyrimidinyl}-L-phenylalanin [German] [ACD/IUPAC Name]
4-{2-Amino-6-[(1R)-2,2,2-trifluoro-1-(3'-fluoro-4-biphenylyl)ethoxy]-4-pyrimidinyl}-L-phenylalanine [ACD/IUPAC Name]
4-{2-Amino-6-[(1R)-2,2,2-trifluoro-1-(3'-fluoro-4-biphénylyl)éthoxy]-4-pyrimidinyl}-L-phénylalanine [French] [ACD/IUPAC Name]
4-{2-Amino-6-[(1r)-2,2,2-Trifluoro-1-(3'-Fluorobiphenyl-4-Yl)ethoxy]pyrimidin-4-Yl}-L-Phenylalanine
L-Phenylalanine, 4-[2-amino-6-[(1R)-2,2,2-trifluoro-1-(3'-fluoro[1,1'-biphenyl]-4-yl)ethoxy]-4-pyrimidinyl]- [ACD/Index Name]
ML0

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

Density: 1.4±0.1 g/cm3
Boiling Point: 699.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.5±3.0 kJ/mol
Flash Point: 376.5±34.3 °C
Index of Refraction: 1.609
Molar Refractivity: 131.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 5.62
ACD/LogD (pH 5.5): 1.75
ACD/BCF (pH 5.5): 3.14
ACD/KOC (pH 5.5): 15.39
ACD/LogD (pH 7.4): 1.73
ACD/BCF (pH 7.4): 3.03
ACD/KOC (pH 7.4): 14.81
Polar Surface Area: 124 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 54.5±3.0 dyne/cm
Molar Volume: 379.3±3.0 cm3

Click to predict properties on the Chemicalize site


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