ChemSpider 2D Image | 3-Allyl-6-hydroxy-2-(octylsulfanyl)-5-(1,2,3,4-tetrahydro-1-isoquinolinyl)-4(3H)-pyrimidinone | C24H33N3O2S

3-Allyl-6-hydroxy-2-(octylsulfanyl)-5-(1,2,3,4-tetrahydro-1-isoquinolinyl)-4(3H)-pyrimidinone

  • Molecular FormulaC24H33N3O2S
  • Average mass427.603 Da
  • Monoisotopic mass427.229340 Da
  • ChemSpider ID21524175

More details:

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

3-Allyl-6-hydroxy-2-(octylsulfanyl)-5-(1,2,3,4-tetrahydro-1-isochinolinyl)-4(3H)-pyrimidinon [German] [ACD/IUPAC Name]
3-Allyl-6-hydroxy-2-(octylsulfanyl)-5-(1,2,3,4-tétrahydro-1-isoquinoléinyl)-4(3H)-pyrimidinone [French] [ACD/IUPAC Name]
3-Allyl-6-hydroxy-2-(octylsulfanyl)-5-(1,2,3,4-tetrahydro-1-isoquinolinyl)-4(3H)-pyrimidinone [ACD/IUPAC Name]
4(3H)-Pyrimidinone, 6-hydroxy-2-(octylthio)-3-(2-propen-1-yl)-5-(1,2,3,4-tetrahydro-1-isoquinolinyl)- [ACD/Index Name]
3-Allyl-6-hydroxy-2-(octylsulfanyl)-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4(3H)-one
3-allyl-6-hydroxy-2-(octylthio)-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4(3H)-one
6-hydroxy-2-(octylsulfanyl)-3-(prop-2-en-1-yl)-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4(3H)-one
836625-40-2 [RN]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 577.9±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 91.0±3.0 kJ/mol
    Flash Point: 303.3±32.9 °C
    Index of Refraction: 1.608
    Molar Refractivity: 124.7±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 1
    ACD/LogP: 6.97
    ACD/LogD (pH 5.5): 3.29
    ACD/BCF (pH 5.5): 46.61
    ACD/KOC (pH 5.5): 106.19
    ACD/LogD (pH 7.4): 3.26
    ACD/BCF (pH 7.4): 43.42
    ACD/KOC (pH 7.4): 98.94
    Polar Surface Area: 90 Å2
    Polarizability: 49.4±0.5 10-24cm3
    Surface Tension: 45.4±7.0 dyne/cm
    Molar Volume: 360.7±7.0 cm3

    Click to predict properties on the Chemicalize site


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