ChemSpider 2D Image | 2-{[7-Benzyl-3-(3-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-phenylacetamide | C31H28N4O2S2

2-{[7-Benzyl-3-(3-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-phenylacetamide

  • Molecular FormulaC31H28N4O2S2
  • Average mass552.710 Da
  • Monoisotopic mass552.165344 Da
  • ChemSpider ID1280357

More details:

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

2-{[7-Benzyl-3-(3-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-phenylacetamid [German] [ACD/IUPAC Name]
2-{[7-Benzyl-3-(3-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-phenylacetamide [ACD/IUPAC Name]
2-{[7-Benzyl-3-(3-méthylphényl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thiéno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-phénylacétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[[3,4,5,6,7,8-hexahydro-3-(3-methylphenyl)-4-oxo-7-(phenylmethyl)pyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]thio]-N-phenyl- [ACD/Index Name]
2-[[7-benzyl-3-(3-methylphenyl)-4-oxo-6,8-dihydro-5H-pyrido[2,3]thieno[2,4-b]pyrimidin-2-yl]sulfanyl]-N-phenylacetamide
488733-41-1 [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:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.708
    Molar Refractivity: 161.3±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 2
    ACD/LogP: 5.68
    ACD/LogD (pH 5.5): 4.36
    ACD/BCF (pH 5.5): 805.66
    ACD/KOC (pH 5.5): 2579.07
    ACD/LogD (pH 7.4): 5.08
    ACD/BCF (pH 7.4): 4191.03
    ACD/KOC (pH 7.4): 13416.18
    Polar Surface Area: 119 Å2
    Polarizability: 63.9±0.5 10-24cm3
    Surface Tension: 56.4±7.0 dyne/cm
    Molar Volume: 413.5±7.0 cm3

    Click to predict properties on the Chemicalize site


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