ChemSpider 2D Image | N-(4-Acetylphenyl)-2-{[3-(4-ethoxyphenyl)-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide | C28H28N4O4S2

N-(4-Acetylphenyl)-2-{[3-(4-ethoxyphenyl)-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide

  • Molecular FormulaC28H28N4O4S2
  • Average mass548.676 Da
  • Monoisotopic mass548.155212 Da
  • ChemSpider ID1444919

More details:

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

843621-56-7 [RN]
Acetamide, N-(4-acetylphenyl)-2-[[3-(4-ethoxyphenyl)-3,4,5,6,7,8-hexahydro-7-methyl-4-oxopyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]thio]- [ACD/Index Name]
N-(4-Acetylphenyl)-2-{[3-(4-ethoxyphenyl)-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamid [German] [ACD/IUPAC Name]
N-(4-Acetylphenyl)-2-{[3-(4-ethoxyphenyl)-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide [ACD/IUPAC Name]
N-(4-Acétylphényl)-2-{[3-(4-éthoxyphényl)-7-méthyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thiéno[2,3-d]pyrimidin-2-yl]sulfanyl}acétamide [French] [ACD/IUPAC Name]
N-(4-acetylphenyl)-2-[[3-(4-ethoxyphenyl)-7-methyl-4-oxo-6,8-dihydro-5H-pyrido[2,3]thieno[2,4-b]pyrimidin-2-yl]sulfanyl]acetamide

    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: 1.693
    Molar Refractivity: 151.9±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 1
    ACD/LogP: 4.40
    ACD/LogD (pH 5.5): 2.22
    ACD/BCF (pH 5.5): 11.89
    ACD/KOC (pH 5.5): 71.63
    ACD/LogD (pH 7.4): 3.65
    ACD/BCF (pH 7.4): 317.07
    ACD/KOC (pH 7.4): 1910.12
    Polar Surface Area: 145 Å2
    Polarizability: 60.2±0.5 10-24cm3
    Surface Tension: 55.8±7.0 dyne/cm
    Molar Volume: 395.8±7.0 cm3

    Click to predict properties on the Chemicalize site


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