ChemSpider 2D Image | Nalpha-(3,4-Difluorobenzoyl)-N-(5-methyl-1,2-oxazol-3-yl)-L-phenylalaninamide | C20H17F2N3O3

Nα-(3,4-Difluorobenzoyl)-N-(5-methyl-1,2-oxazol-3-yl)-L-phenylalaninamide

  • Molecular FormulaC20H17F2N3O3
  • Average mass385.364 Da
  • Monoisotopic mass385.123810 Da
  • ChemSpider ID22886498

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Benzenepropanamide, α-[(3,4-difluorobenzoyl)amino]-N-(5-methyl-3-isoxazolyl)-, (αS)- [ACD/Index Name]
Nα-(3,4-Difluorbenzoyl)-N-(5-methyl-1,2-oxazol-3-yl)-L-phenylalaninamid [German] [ACD/IUPAC Name]
Nα-(3,4-Difluorobenzoyl)-N-(5-methyl-1,2-oxazol-3-yl)-L-phenylalaninamide [ACD/IUPAC Name]
Nα-(3,4-Difluorobenzoyl)-N-(5-méthyl-1,2-oxazol-3-yl)-L-phénylalaninamide [French] [ACD/IUPAC Name]
1134770-16-3 [RN]
3,4-difluoro-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide
Nα-[(3,4-difluorophenyl)carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)-L-phenylalaninamide

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 623.4±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 92.3±3.0 kJ/mol
    Flash Point: 330.8±31.5 °C
    Index of Refraction: 1.602
    Molar Refractivity: 98.0±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.23
    ACD/LogD (pH 5.5): 3.03
    ACD/BCF (pH 5.5): 118.47
    ACD/KOC (pH 5.5): 1061.44
    ACD/LogD (pH 7.4): 3.03
    ACD/BCF (pH 7.4): 118.46
    ACD/KOC (pH 7.4): 1061.33
    Polar Surface Area: 84 Å2
    Polarizability: 38.9±0.5 10-24cm3
    Surface Tension: 52.5±3.0 dyne/cm
    Molar Volume: 285.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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