ChemSpider 2D Image | 2-(4-Butoxyphenyl)-6,6-dimethyl-4-{[(2E)-3-phenyl-2-propen-1-yl]sulfanyl}-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine | C30H32N2O2S2

2-(4-Butoxyphenyl)-6,6-dimethyl-4-{[(2E)-3-phenyl-2-propen-1-yl]sulfanyl}-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine

  • Molecular FormulaC30H32N2O2S2
  • Average mass516.717 Da
  • Monoisotopic mass516.190491 Da
  • ChemSpider ID1438923

  • Double-bond stereo - Double-bond stereo

More details:

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

2-(4-Butoxyphenyl)-6,6-dimethyl-4-{[(2E)-3-phenyl-2-propen-1-yl]sulfanyl}-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin [German] [ACD/IUPAC Name]
2-(4-Butoxyphenyl)-6,6-dimethyl-4-{[(2E)-3-phenyl-2-propen-1-yl]sulfanyl}-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine [ACD/IUPAC Name]
2-(4-Butoxyphényl)-6,6-diméthyl-4-{[(2E)-3-phényl-2-propén-1-yl]sulfanyl}-5,8-dihydro-6H-pyrano[4',3':4,5]thiéno[2,3-d]pyrimidine [French] [ACD/IUPAC Name]
6H-Pyrano[4',3':4,5]thieno[2,3-d]pyrimidine, 2-(4-butoxyphenyl)-5,8-dihydro-6,6-dimethyl-4-[[(2E)-3-phenyl-2-propen-1-yl]thio]- [ACD/Index Name]
2-(4-butoxyphenyl)-6,6-dimethyl-4-[(E)-3-phenylprop-2-enyl]sulfanyl-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidine
2-(4-butoxyphenyl)-6,6-dimethyl-4-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
799799-64-7 [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: 614.8±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 87.9±3.0 kJ/mol
    Flash Point: 325.6±31.5 °C
    Index of Refraction: 1.660
    Molar Refractivity: 152.4±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 2
    ACD/LogP: 9.68
    ACD/LogD (pH 5.5): 7.82
    ACD/BCF (pH 5.5): 514480.66
    ACD/KOC (pH 5.5): 426347.38
    ACD/LogD (pH 7.4): 7.82
    ACD/BCF (pH 7.4): 514504.94
    ACD/KOC (pH 7.4): 426367.50
    Polar Surface Area: 98 Å2
    Polarizability: 60.4±0.5 10-24cm3
    Surface Tension: 61.1±5.0 dyne/cm
    Molar Volume: 412.5±5.0 cm3

    Click to predict properties on the Chemicalize site


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