ChemSpider 2D Image | (6E)-6-{2-[2-(4-Cyclohexylphenoxy)ethoxy]benzylidene}-5-imino-2-(trifluoromethyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | C27H25F3N4O3S

(6E)-6-{2-[2-(4-Cyclohexylphenoxy)ethoxy]benzylidene}-5-imino-2-(trifluoromethyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

  • Molecular FormulaC27H25F3N4O3S
  • Average mass542.573 Da
  • Monoisotopic mass542.159973 Da
  • ChemSpider ID21335794

  • Double-bond stereo - Double-bond stereo

More details:

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

(6E)-6-{2-[2-(4-Cyclohexylphenoxy)ethoxy]benzyliden}-5-imino-2-(trifluormethyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-on [German] [ACD/IUPAC Name]
(6E)-6-{2-[2-(4-Cyclohexylphenoxy)ethoxy]benzylidene}-5-imino-2-(trifluoromethyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one [ACD/IUPAC Name]
(6E)-6-{2-[2-(4-Cyclohexylphénoxy)éthoxy]benzylidène}-5-imino-2-(trifluorométhyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one [French] [ACD/IUPAC Name]
7H-1,3,4-Thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[2-[2-(4-cyclohexylphenoxy)ethoxy]phenyl]methylene]-5,6-dihydro-5-imino-2-(trifluoromethyl)-, (6E)- [ACD/Index Name]
(6E)-6-[[2-[2-(4-cyclohexylphenoxy)ethoxy]phenyl]methylidene]-5-imino-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
374770-69-1 [RN]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 611.9±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 90.8±3.0 kJ/mol
    Flash Point: 323.9±34.3 °C
    Index of Refraction: 1.646
    Molar Refractivity: 137.8±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: 6.57
    ACD/LogD (pH 5.5): 5.84
    ACD/BCF (pH 5.5): 16187.68
    ACD/KOC (pH 5.5): 35852.68
    ACD/LogD (pH 7.4): 5.84
    ACD/BCF (pH 7.4): 16187.68
    ACD/KOC (pH 7.4): 35852.68
    Polar Surface Area: 113 Å2
    Polarizability: 54.6±0.5 10-24cm3
    Surface Tension: 50.5±7.0 dyne/cm
    Molar Volume: 379.8±7.0 cm3

    Click to predict properties on the Chemicalize site


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