ChemSpider 2D Image | 1-[2-(3,4-Dimethoxyphenyl)ethyl]-2-imino-3-[(4-methylphenyl)sulfonyl]-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one | C28H26N4O5S

1-[2-(3,4-Dimethoxyphenyl)ethyl]-2-imino-3-[(4-methylphenyl)sulfonyl]-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one

  • Molecular FormulaC28H26N4O5S
  • Average mass530.595 Da
  • Monoisotopic mass530.162415 Da
  • ChemSpider ID21524581

More details:

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

1-[2-(3,4-Dimethoxyphenyl)ethyl]-2-imino-3-[(4-methylphenyl)sulfonyl]-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-on [German] [ACD/IUPAC Name]
1-[2-(3,4-Dimethoxyphenyl)ethyl]-2-imino-3-[(4-methylphenyl)sulfonyl]-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one [ACD/IUPAC Name]
1-[2-(3,4-Diméthoxyphényl)éthyl]-2-imino-3-[(4-méthylphényl)sulfonyl]-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one [French] [ACD/IUPAC Name]
5H-Dipyrido[1,2-a:2',3'-d]pyrimidin-5-one, 1-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-dihydro-2-imino-3-[(4-methylphenyl)sulfonyl]- [ACD/Index Name]
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-3-(4-methylphenyl)sulfonyldipyrido[1,2-d:3',4'-f]pyrimidin-5-one
1-[2-(3,4-Dimethoxy-phenyl)-ethyl]-2-imino-3-(toluene-4-sulfonyl)-1,2-dihydro-1,9,10a-triaza-anthracen-10-one
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-3-[(4-methylphenyl)sulfonyl]-1,6-dihydropyridino[1,2-a]pyridino[2,3-d]pyrimidin-5-one
843636-95-3 [RN]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 685.3±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 100.5±3.0 kJ/mol
    Flash Point: 368.3±34.3 °C
    Index of Refraction: 1.661
    Molar Refractivity: 144.6±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 2.06
    ACD/LogD (pH 5.5): 1.27
    ACD/BCF (pH 5.5): 2.82
    ACD/KOC (pH 5.5): 33.69
    ACD/LogD (pH 7.4): 2.37
    ACD/BCF (pH 7.4): 35.38
    ACD/KOC (pH 7.4): 423.56
    Polar Surface Area: 121 Å2
    Polarizability: 57.3±0.5 10-24cm3
    Surface Tension: 53.8±7.0 dyne/cm
    Molar Volume: 391.1±7.0 cm3

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