ChemSpider 2D Image | (6E)-6-({1-[2-(4-Allyl-2-methoxyphenoxy)ethyl]-2-methyl-1H-indol-3-yl}methylene)-5-imino-2-propyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | C30H31N5O3S

(6E)-6-({1-[2-(4-Allyl-2-methoxyphenoxy)ethyl]-2-methyl-1H-indol-3-yl}methylene)-5-imino-2-propyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

  • Molecular FormulaC30H31N5O3S
  • Average mass541.664 Da
  • Monoisotopic mass541.214783 Da
  • ChemSpider ID21333202

  • Double-bond stereo - Double-bond stereo

More details:

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

(6E)-6-({1-[2-(4-Allyl-2-methoxyphenoxy)ethyl]-2-methyl-1H-indol-3-yl}methylen)-5-imino-2-propyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-on [German] [ACD/IUPAC Name]
(6E)-6-({1-[2-(4-Allyl-2-methoxyphenoxy)ethyl]-2-methyl-1H-indol-3-yl}methylene)-5-imino-2-propyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one [ACD/IUPAC Name]
(6E)-6-({1-[2-(4-Allyl-2-méthoxyphénoxy)éthyl]-2-méthyl-1H-indol-3-yl}méthylène)-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, 5,6-dihydro-5-imino-6-[[1-[2-[2-methoxy-4-(2-propen-1-yl)phenoxy]ethyl]-2-methyl-1H-indol-3-yl]methylene]-2-propyl-, (6E)- [ACD/Index Name]
(6E)-5-imino-6-[(1-{2-[2-methoxy-4-(prop-2-en-1-yl)phenoxy]ethyl}-2-methyl-1H-indol-3-yl)methylidene]-2-propyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
(6E)-5-imino-6-[[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]-2-methylindol-3-yl]methylidene]-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
374916-98-0 [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: 684.1±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 100.3±3.0 kJ/mol
    Flash Point: 367.5±34.3 °C
    Index of Refraction: 1.656
    Molar Refractivity: 154.7±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 5.35
    ACD/LogD (pH 5.5): 5.33
    ACD/BCF (pH 5.5): 6588.85
    ACD/KOC (pH 5.5): 18840.63
    ACD/LogD (pH 7.4): 5.33
    ACD/BCF (pH 7.4): 6588.85
    ACD/KOC (pH 7.4): 18840.63
    Polar Surface Area: 118 Å2
    Polarizability: 61.3±0.5 10-24cm3
    Surface Tension: 49.4±7.0 dyne/cm
    Molar Volume: 421.3±7.0 cm3

    Click to predict properties on the Chemicalize site


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