ChemSpider 2D Image | 2-(3-Chloro-6-{[2,2-difluoro-2-(1-oxido-2-pyridinyl)ethyl]amino}-1-oxido-2-pyridinyl)-N-[1-(3-chlorophenyl)ethyl]acetamide | C22H20Cl2F2N4O3

2-(3-Chloro-6-{[2,2-difluoro-2-(1-oxido-2-pyridinyl)ethyl]amino}-1-oxido-2-pyridinyl)-N-[1-(3-chlorophenyl)ethyl]acetamide

  • Molecular FormulaC22H20Cl2F2N4O3
  • Average mass497.322 Da
  • Monoisotopic mass496.088043 Da
  • ChemSpider ID21541474

More details:

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

2-(3-Chlor-6-{[2,2-difluor-2-(1-oxido-2-pyridinyl)ethyl]amino}-1-oxido-2-pyridinyl)-N-[1-(3-chlorphenyl)ethyl]acetamid [German] [ACD/IUPAC Name]
2-(3-Chloro-6-{[2,2-difluoro-2-(1-oxido-2-pyridinyl)ethyl]amino}-1-oxido-2-pyridinyl)-N-[1-(3-chlorophenyl)ethyl]acetamide [ACD/IUPAC Name]
2-(3-Chloro-6-{[2,2-difluoro-2-(1-oxydo-2-pyridinyl)éthyl]amino}-1-oxydo-2-pyridinyl)-N-[1-(3-chlorophényl)éthyl]acétamide [French] [ACD/IUPAC Name]
2-Pyridineacetamide, 3-chloro-N-[1-(3-chlorophenyl)ethyl]-6-[[2,2-difluoro-2-(1-oxido-2-pyridinyl)ethyl]amino]-, 1-oxide [ACD/Index Name]
2-(3-CHLORO-6-{[2,2-DIFLUORO-2-(1-OXIDOPYRIDIN-2-YL)ETHYL]AMINO}-1-OXIDOPYRIDIN-2-YL)-N-[1-(3-CHLOROPHENYL)ETHYL]ACETAMIDE
3-chloro-2-({[(1R)-1-(3-chlorophenyl)ethyl]carbamoyl}methyl)-6-{[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino}pyridin-1-ium-1-olate
855998-46-8 [RN]
L17
MFCD31544449
thrombin inhibitor 1

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 868.1±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.3 mmHg at 25°C
    Enthalpy of Vaporization: 126.2±3.0 kJ/mol
    Flash Point: 478.8±34.3 °C
    Index of Refraction: 1.609
    Molar Refractivity: 122.2±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 0.39
    ACD/LogD (pH 5.5): 2.06
    ACD/BCF (pH 5.5): 21.48
    ACD/KOC (pH 5.5): 312.70
    ACD/LogD (pH 7.4): 2.06
    ACD/BCF (pH 7.4): 21.48
    ACD/KOC (pH 7.4): 312.71
    Polar Surface Area: 92 Å2
    Polarizability: 48.4±0.5 10-24cm3
    Surface Tension: 48.3±7.0 dyne/cm
    Molar Volume: 352.6±7.0 cm3

    Click to predict properties on the Chemicalize site


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