ChemSpider 2D Image | (6E)-5-Imino-6-({1-[2-(3-methylphenoxy)ethyl]-1H-indol-3-yl}methylene)-2-[2-oxo-2-(1-pyrrolidinyl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | C29H28N6O3S

(6E)-5-Imino-6-({1-[2-(3-methylphenoxy)ethyl]-1H-indol-3-yl}methylene)-2-[2-oxo-2-(1-pyrrolidinyl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

  • Molecular FormulaC29H28N6O3S
  • Average mass540.636 Da
  • Monoisotopic mass540.194336 Da
  • ChemSpider ID22869675

  • Double-bond stereo - Double-bond stereo

More details:

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

(6E)-5-Imino-6-({1-[2-(3-methylphenoxy)ethyl]-1H-indol-3-yl}methylen)-2-[2-oxo-2-(1-pyrrolidinyl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-on [German] [ACD/IUPAC Name]
(6E)-5-Imino-6-({1-[2-(3-methylphenoxy)ethyl]-1H-indol-3-yl}methylene)-2-[2-oxo-2-(1-pyrrolidinyl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one [ACD/IUPAC Name]
(6E)-5-Imino-6-({1-[2-(3-méthylphénoxy)éthyl]-1H-indol-3-yl}méthylène)-2-[2-oxo-2-(1-pyrrolidinyl)éthyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one [French] [ACD/IUPAC Name]
(6E)-5-Imino-6-({1-[2-(3-methylphenoxy)ethyl]-1H-indol-3-yl}methylene)-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
7H-1,3,4-Thiadiazolo[3,2-a]pyrimidin-7-one, 5,6-dihydro-5-imino-6-[[1-[2-(3-methylphenoxy)ethyl]-1H-indol-3-yl]methylene]-2-[2-oxo-2-(1-pyrrolidinyl)ethyl]-, (6E)- [ACD/Index Name]
(6E)-5-imino-6-({1-[2-(3-methylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
(6E)-5-imino-6-[[1-[2-(3-methylphenoxy)ethyl]indol-3-yl]methylidene]-2-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
846029-07-0 [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: 751.3±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 109.5±3.0 kJ/mol
    Flash Point: 408.1±35.7 °C
    Index of Refraction: 1.727
    Molar Refractivity: 151.5±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 3.54
    ACD/LogD (pH 5.5): 3.83
    ACD/BCF (pH 5.5): 474.95
    ACD/KOC (pH 5.5): 2867.79
    ACD/LogD (pH 7.4): 3.83
    ACD/BCF (pH 7.4): 474.95
    ACD/KOC (pH 7.4): 2867.79
    Polar Surface Area: 129 Å2
    Polarizability: 60.1±0.5 10-24cm3
    Surface Tension: 61.6±7.0 dyne/cm
    Molar Volume: 380.9±7.0 cm3

    Click to predict properties on the Chemicalize site


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