ChemSpider 2D Image | MFCD03224529 | C27H26FN3O3S2

MFCD03224529

  • Molecular FormulaC27H26FN3O3S2
  • Average mass523.642 Da
  • Monoisotopic mass523.139954 Da
  • ChemSpider ID1290909

More details:

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

2-{[3-(4-Ethoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(3-fluor-4-methylphenyl)acetamid [German] [ACD/IUPAC Name]
2-{[3-(4-Ethoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)acetamide [ACD/IUPAC Name]
2-{[3-(4-Éthoxyphényl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothiéno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(3-fluoro-4-méthylphényl)acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[[3-(4-ethoxyphenyl)-3,4,5,6,7,8-hexahydro-4-oxo[1]benzothieno[2,3-d]pyrimidin-2-yl]thio]-N-(3-fluoro-4-methylphenyl)- [ACD/Index Name]
MFCD03224529
2-[[3-(4-ethoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide
2-[3-(4-ethoxyphenyl)-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylthio)]-N-(3-fluoro-4-methylphenyl)acetamide
2-[3-(4-Ethoxy-phenyl)-4-oxo-3,4,5,6,7,8-hexahydro-benzo[4,5]thieno[2,3-d]pyrimidin-2-ylsulfanyl]-N-(3-fluoro-4-methyl-phenyl)-acetamide
2-{[4-(4-ethoxyphenyl)-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)acetamide
499125-40-5 [RN]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.684
    Molar Refractivity: 142.5±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 2
    ACD/LogP: 7.07
    ACD/LogD (pH 5.5): 5.58
    ACD/BCF (pH 5.5): 10322.24
    ACD/KOC (pH 5.5): 25980.50
    ACD/LogD (pH 7.4): 5.58
    ACD/BCF (pH 7.4): 10322.22
    ACD/KOC (pH 7.4): 25980.45
    Polar Surface Area: 125 Å2
    Polarizability: 56.5±0.5 10-24cm3
    Surface Tension: 52.6±7.0 dyne/cm
    Molar Volume: 375.6±7.0 cm3

    Click to predict properties on the Chemicalize site


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