ChemSpider 2D Image | 2-[(7-tert-butyl-4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(2-nitrophenyl)acetamide | C28H28N4O4S2

2-[(7-tert-butyl-4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(2-nitrophenyl)acetamide

  • Molecular FormulaC28H28N4O4S2
  • Average mass548.676 Da
  • Monoisotopic mass548.155212 Da
  • ChemSpider ID23081087

More details:

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

2-[(7-tert-butyl-4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(2-nitrophenyl)acetamide
2-{[7-(2-Methyl-2-propanyl)-4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(2-nitrophenyl)acetamid [German] [ACD/IUPAC Name]
2-{[7-(2-Methyl-2-propanyl)-4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(2-nitrophenyl)acetamide [ACD/IUPAC Name]
2-{[7-(2-Méthyl-2-propanyl)-4-oxo-3-phényl-3,4,5,6,7,8-hexahydro[1]benzothiéno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(2-nitrophényl)acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[[7-(1,1-dimethylethyl)-3,4,5,6,7,8-hexahydro-4-oxo-3-phenyl[1]benzothieno[2,3-d]pyrimidin-2-yl]thio]-N-(2-nitrophenyl)- [ACD/Index Name]
2-[(7-tert-butyl-4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)thio]-N-(2-nitrophenyl)acetamide
2-[(7-tert-butyl-4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(2-nitrophenyl)acetamide
2-[7-(tert-butyl)-4-oxo-3-phenyl(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylthio)]-N-(2-nitrophenyl)acetamide
MFCD01899710

    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: 1.702
    Molar Refractivity: 151.9±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 2
    ACD/LogP: 7.27
    ACD/LogD (pH 5.5): 6.36
    ACD/BCF (pH 5.5): 39992.21
    ACD/KOC (pH 5.5): 68497.88
    ACD/LogD (pH 7.4): 6.36
    ACD/BCF (pH 7.4): 39990.98
    ACD/KOC (pH 7.4): 68495.77
    Polar Surface Area: 161 Å2
    Polarizability: 60.2±0.5 10-24cm3
    Surface Tension: 58.3±7.0 dyne/cm
    Molar Volume: 392.0±7.0 cm3

    Click to predict properties on the Chemicalize site


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