ChemSpider 2D Image | 6-Methyl-2-({2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl}sulfanyl)-4-(trifluoromethyl)nicotinonitrile | C19H18F3N5OS

6-Methyl-2-({2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl}sulfanyl)-4-(trifluoromethyl)nicotinonitrile

  • Molecular FormulaC19H18F3N5OS
  • Average mass421.439 Da
  • Monoisotopic mass421.118408 Da
  • ChemSpider ID28615054

More details:

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

3-Pyridinecarbonitrile, 6-methyl-2-[[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]thio]-4-(trifluoromethyl)- [ACD/Index Name]
6-Methyl-2-({2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl}sulfanyl)-4-(trifluormethyl)nicotinonitril [German] [ACD/IUPAC Name]
6-Methyl-2-({2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl}sulfanyl)-4-(trifluoromethyl)nicotinonitrile [ACD/IUPAC Name]
6-Méthyl-2-({2-oxo-2-[4-(2-pyridinyl)-1-pipérazinyl]éthyl}sulfanyl)-4-(trifluorométhyl)nicotinonitrile [French] [ACD/IUPAC Name]
1374680-04-2 [RN]
6-methyl-2-({2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}sulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile
6-methyl-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile
6-Methyl-2-[2-oxo-2-(4-pyridin-2-yl-piperazin-1-yl)-ethylsulfanyl]-4-trifluoromethyl-nicotinonitrile

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 600.1±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 89.3±3.0 kJ/mol
    Flash Point: 316.7±31.5 °C
    Index of Refraction: 1.613
    Molar Refractivity: 102.9±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.02
    ACD/LogD (pH 5.5): 0.48
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.64
    ACD/LogD (pH 7.4): 1.79
    ACD/BCF (pH 7.4): 7.55
    ACD/KOC (pH 7.4): 74.29
    Polar Surface Area: 98 Å2
    Polarizability: 40.8±0.5 10-24cm3
    Surface Tension: 64.6±5.0 dyne/cm
    Molar Volume: 295.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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