ChemSpider 2D Image | N-(6-Methyl-2-nonyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-3,5-dinitrobenzamide | C27H33N5O6S

N-(6-Methyl-2-nonyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-3,5-dinitrobenzamide

  • Molecular FormulaC27H33N5O6S
  • Average mass555.646 Da
  • Monoisotopic mass555.215149 Da
  • ChemSpider ID3147236

More details:

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

Benzamide, 3,5-dinitro-N-(5,6,7,8-tetrahydro-6-methyl-2-nonyl-4-oxo[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)- [ACD/Index Name]
N-(6-Methyl-2-nonyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-3,5-dinitrobenzamid [German] [ACD/IUPAC Name]
N-(6-Methyl-2-nonyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-3,5-dinitrobenzamide [ACD/IUPAC Name]
N-(6-Méthyl-2-nonyl-4-oxo-5,6,7,8-tétrahydro[1]benzothiéno[2,3-d]pyrimidin-3(4H)-yl)-3,5-dinitrobenzamide [French] [ACD/IUPAC Name]
N-(6-methyl-2-nonyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-3,5-dinitrobenzamide

    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: 1.678
    Molar Refractivity: 147.3±0.5 cm3
    #H bond acceptors: 11
    #H bond donors: 1
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 3
    ACD/LogP: 7.53
    ACD/LogD (pH 5.5): 6.04
    ACD/BCF (pH 5.5): 13036.05
    ACD/KOC (pH 5.5): 15775.28
    ACD/LogD (pH 7.4): 6.14
    ACD/BCF (pH 7.4): 16645.88
    ACD/KOC (pH 7.4): 20143.63
    Polar Surface Area: 182 Å2
    Polarizability: 58.4±0.5 10-24cm3
    Surface Tension: 60.1±7.0 dyne/cm
    Molar Volume: 390.7±7.0 cm3

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