ChemSpider 2D Image | N-{(1S)-1-(2-Chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl}-1-(5-cyano-2-pyridinyl)-N-(5-fluoro-3-pyridinyl)-5-oxo-L-prolinamide | C28H22ClF3N6O3

N-{(1S)-1-(2-Chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl}-1-(5-cyano-2-pyridinyl)-N-(5-fluoro-3-pyridinyl)-5-oxo-L-prolinamide

  • Molecular FormulaC28H22ClF3N6O3
  • Average mass582.961 Da
  • Monoisotopic mass582.139404 Da
  • ChemSpider ID60599798

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-Pyrrolidinecarboxamide, N-[(1S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-1-(5-cyano-2-pyridinyl)-N-(5-fluoro-3-pyridinyl)-5-oxo-, (2S)- [ACD/Index Name]
N-{(1S)-1-(2-Chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl}-1-(5-cyano-2-pyridinyl)-N-(5-fluoro-3-pyridinyl)-5-oxo-L-prolinamide [ACD/IUPAC Name]
N-{(1S)-1-(2-Chlorophényl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoéthyl}-1-(5-cyano-2-pyridinyl)-N-(5-fluoro-3-pyridinyl)-5-oxo-L-prolinamide [French] [ACD/IUPAC Name]
N-{(1S)-1-(2-Chlorphenyl)-2-[(3,3-difluorcyclobutyl)amino]-2-oxoethyl}-1-(5-cyan-2-pyridinyl)-N-(5-fluor-3-pyridinyl)-5-oxo-L-prolinamid [German] [ACD/IUPAC Name]
(S)-N-((R)-1-(2-chlorophenyl)-2-((3,3-difluorocyclobutyl)amino)-2-oxoethyl)-1-(5-cyanopyridin-2-yl)-N-(5-fluoropyridin-3-yl)-5-oxopyrrolidine-2-carboxamide
(S)-N-((S)-1-(2-chlorophenyl)-2-((3,3-difluorocyclobutyl)amino)-2-oxoethyl)-1-(5-cyanopyridin-2-yl)-N-(5-fluoropyridin-3-yl)-5-oxopyrrolidine-2-carboxamide
(S)-N-((S)-1-(2-chlorophenyl)-2-((3,3-difluorocyclobutyl)amino)-2-oxoethyl)-1-(5-cyanopyridin-2-yl)-N-(5-fluoropyridin-3-yl)-5-oxopyrrolidine-2-carboxamide(WXC05619)

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 871.4±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 126.6±3.0 kJ/mol
    Flash Point: 480.8±34.3 °C
    Index of Refraction: 1.651
    Molar Refractivity: 140.1±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 1
    ACD/LogP: 0.48
    ACD/LogD (pH 5.5): 1.27
    ACD/BCF (pH 5.5): 5.43
    ACD/KOC (pH 5.5): 116.78
    ACD/LogD (pH 7.4): 1.27
    ACD/BCF (pH 7.4): 5.43
    ACD/KOC (pH 7.4): 116.78
    Polar Surface Area: 119 Å2
    Polarizability: 55.5±0.5 10-24cm3
    Surface Tension: 73.0±5.0 dyne/cm
    Molar Volume: 383.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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