ChemSpider 2D Image | (6Z)-6-({1-[2-(4-Cyclohexylphenoxy)ethyl]-1H-indol-3-yl}methylene)-5-imino-2-isopropyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | C31H33N5O2S

(6Z)-6-({1-[2-(4-Cyclohexylphenoxy)ethyl]-1H-indol-3-yl}methylene)-5-imino-2-isopropyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

  • Molecular FormulaC31H33N5O2S
  • Average mass539.691 Da
  • Monoisotopic mass539.235474 Da
  • ChemSpider ID21262661

  • Double-bond stereo - Double-bond stereo

More details:

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

(6Z)-6-({1-[2-(4-Cyclohexylphenoxy)ethyl]-1H-indol-3-yl}methylen)-5-imino-2-isopropyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-on [German] [ACD/IUPAC Name]
(6Z)-6-({1-[2-(4-Cyclohexylphenoxy)ethyl]-1H-indol-3-yl}methylene)-5-imino-2-isopropyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one [ACD/IUPAC Name]
(6Z)-6-({1-[2-(4-Cyclohexylphénoxy)éthyl]-1H-indol-3-yl}méthylène)-5-imino-2-isopropyl-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-[[1-[2-(4-cyclohexylphenoxy)ethyl]-1H-indol-3-yl]methylene]-5,6-dihydro-5-imino-2-(1-methylethyl)-, (6Z)- [ACD/Index Name]
(6Z)-6-({1-[2-(4-cyclohexylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-5-imino-2-(propan-2-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
(6Z)-6-[[1-[2-(4-cyclohexylphenoxy)ethyl]indol-3-yl]methylidene]-5-imino-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
402595-68-0 [RN]
6-{1-[2-(4-Cyclohexyl-phenoxy)-ethyl]-1H-indol-3-ylmethylene}-5-imino-2-isopropyl-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: 698.4±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 102.3±3.0 kJ/mol
    Flash Point: 376.1±34.3 °C
    Index of Refraction: 1.697
    Molar Refractivity: 155.7±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 2
    ACD/LogP: 6.38
    ACD/LogD (pH 5.5): 6.13
    ACD/BCF (pH 5.5): 26840.12
    ACD/KOC (pH 5.5): 51488.30
    ACD/LogD (pH 7.4): 6.13
    ACD/BCF (pH 7.4): 26840.12
    ACD/KOC (pH 7.4): 51488.30
    Polar Surface Area: 108 Å2
    Polarizability: 61.7±0.5 10-24cm3
    Surface Tension: 54.3±7.0 dyne/cm
    Molar Volume: 404.1±7.0 cm3

    Click to predict properties on the Chemicalize site


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