ChemSpider 2D Image | (6Z)-6-{3-Chloro-5-ethoxy-4-[2-(3-methylphenoxy)ethoxy]benzylidene}-5-imino-2-propyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | C26H27ClN4O4S

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

  • Molecular FormulaC26H27ClN4O4S
  • Average mass527.035 Da
  • Monoisotopic mass526.144165 Da
  • ChemSpider ID22845783

  • Double-bond stereo - Double-bond stereo

More details:

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

(6Z)-6-{3-Chlor-5-ethoxy-4-[2-(3-methylphenoxy)ethoxy]benzyliden}-5-imino-2-propyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-on [German] [ACD/IUPAC Name]
(6Z)-6-{3-Chloro-5-ethoxy-4-[2-(3-methylphenoxy)ethoxy]benzylidene}-5-imino-2-propyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one [ACD/IUPAC Name]
(6Z)-6-{3-Chloro-5-éthoxy-4-[2-(3-méthylphénoxy)éthoxy]benzylidène}-5-imino-2-propyl-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-chloro-5-ethoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl]methylene]-5,6-dihydro-5-imino-2-propyl-, (6Z)- [ACD/Index Name]
(6Z)-6-[[3-CHLORO-5-ETHOXY-4-[2-(3-METHYLPHENOXY)ETHOXY]PHENYL]METHYLIDENE]-5-IMINO-2-PROPYL-[1,3,4]THIADIAZOLO[3,2-A]PYRIMIDIN-7-ONE
361201-58-3 [RN]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 659.8±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 97.1±3.0 kJ/mol
    Flash Point: 352.8±34.3 °C
    Index of Refraction: 1.640
    Molar Refractivity: 141.0±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 5.19
    ACD/LogD (pH 5.5): 5.07
    ACD/BCF (pH 5.5): 4172.10
    ACD/KOC (pH 5.5): 13584.50
    ACD/LogD (pH 7.4): 5.07
    ACD/BCF (pH 7.4): 4172.10
    ACD/KOC (pH 7.4): 13584.50
    Polar Surface Area: 122 Å2
    Polarizability: 55.9±0.5 10-24cm3
    Surface Tension: 49.6±7.0 dyne/cm
    Molar Volume: 391.5±7.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement