ChemSpider 2D Image | (6Z)-5-Imino-6-{4-[2-(2-methylphenoxy)ethoxy]benzylidene}-2-(trifluoromethyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | C22H17F3N4O3S

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

  • Molecular FormulaC22H17F3N4O3S
  • Average mass474.456 Da
  • Monoisotopic mass474.097351 Da
  • ChemSpider ID17789686

  • Double-bond stereo - Double-bond stereo

More details:

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

(6Z)-5-Imino-6-{4-[2-(2-methylphenoxy)ethoxy]benzyliden}-2-(trifluormethyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-on [German] [ACD/IUPAC Name]
(6Z)-5-Imino-6-{4-[2-(2-methylphenoxy)ethoxy]benzylidene}-2-(trifluoromethyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one [ACD/IUPAC Name]
(6Z)-5-Imino-6-{4-[2-(2-méthylphénoxy)éthoxy]benzylidène}-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, 5,6-dihydro-5-imino-6-[[4-[2-(2-methylphenoxy)ethoxy]phenyl]methylene]-2-(trifluoromethyl)-, (6Z)- [ACD/Index Name]
(6Z)-5-imino-6-[[4-[2-(2-methylphenoxy)ethoxy]phenyl]methylidene]-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
333746-22-8 [RN]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 551.0±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 83.1±3.0 kJ/mol
    Flash Point: 287.1±32.9 °C
    Index of Refraction: 1.635
    Molar Refractivity: 117.1±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 4.45
    ACD/LogD (pH 5.5): 4.67
    ACD/BCF (pH 5.5): 2075.82
    ACD/KOC (pH 5.5): 8242.16
    ACD/LogD (pH 7.4): 4.67
    ACD/BCF (pH 7.4): 2075.82
    ACD/KOC (pH 7.4): 8242.16
    Polar Surface Area: 113 Å2
    Polarizability: 46.4±0.5 10-24cm3
    Surface Tension: 49.2±7.0 dyne/cm
    Molar Volume: 327.3±7.0 cm3

    Click to predict properties on the Chemicalize site


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