ChemSpider 2D Image | (6Z)-6-(3-Ethoxy-4-{2-[2-(4-methylphenoxy)ethoxy]ethoxy}benzylidene)-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | C27H30N4O5S

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

  • Molecular FormulaC27H30N4O5S
  • Average mass522.616 Da
  • Monoisotopic mass522.193665 Da
  • ChemSpider ID21261523

  • Double-bond stereo - Double-bond stereo

More details:

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

(6Z)-6-(3-Ethoxy-4-{2-[2-(4-methylphenoxy)ethoxy]ethoxy}benzyliden)-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-on [German] [ACD/IUPAC Name]
(6Z)-6-(3-Ethoxy-4-{2-[2-(4-methylphenoxy)ethoxy]ethoxy}benzylidene)-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one [ACD/IUPAC Name]
(6Z)-6-(3-Éthoxy-4-{2-[2-(4-méthylphénoxy)éthoxy]éthoxy}benzylidène)-2-éthyl-5-imino-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-[[3-ethoxy-4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]phenyl]methylene]-2-ethyl-5,6-dihydro-5-imino-, (6Z)- [ACD/Index Name]
(6Z)-6-[[3-ETHOXY-4-[2-[2-(4-METHYLPHENOXY)ETHOXY]ETHOXY]PHENYL]METHYLIDENE]-2-ETHYL-5-IMINO-[1,3,4]THIADIAZOLO[3,2-A]PYRIMIDIN-7-ONE
297161-83-2 [RN]
6-{3-Ethoxy-4-[2-(2-p-tolyloxy-ethoxy)-ethoxy]-benzylidene}-2-ethyl-5-imino-5,6-dihydro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 661.4±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 97.3±3.0 kJ/mol
    Flash Point: 353.8±34.3 °C
    Index of Refraction: 1.621
    Molar Refractivity: 142.4±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 1
    ACD/LogP: 3.74
    ACD/LogD (pH 5.5): 3.96
    ACD/BCF (pH 5.5): 602.41
    ACD/KOC (pH 5.5): 3399.77
    ACD/LogD (pH 7.4): 3.96
    ACD/BCF (pH 7.4): 602.41
    ACD/KOC (pH 7.4): 3399.77
    Polar Surface Area: 131 Å2
    Polarizability: 56.5±0.5 10-24cm3
    Surface Tension: 48.4±7.0 dyne/cm
    Molar Volume: 404.7±7.0 cm3

    Click to predict properties on the Chemicalize site


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