ChemSpider 2D Image | 5-(3,4-Dimethoxyphenyl)-8,8-dimethyl-2-[(4-nitrobenzyl)sulfanyl]-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(1H,7H)-dione | C28H28N4O6S

5-(3,4-Dimethoxyphenyl)-8,8-dimethyl-2-[(4-nitrobenzyl)sulfanyl]-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(1H,7H)-dione

  • Molecular FormulaC28H28N4O6S
  • Average mass548.610 Da
  • Monoisotopic mass548.172974 Da
  • ChemSpider ID4304865

More details:

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

5-(3,4-Dimethoxyphenyl)-8,8-dimethyl-2-[(4-nitrobenzyl)sulfanyl]-5,8,9,10-tetrahydropyrimido[4,5-b]chinolin-4,6(1H,7H)-dion [German] [ACD/IUPAC Name]
5-(3,4-Diméthoxyphényl)-8,8-diméthyl-2-[(4-nitrobenzyl)sulfanyl]-5,8,9,10-tétrahydropyrimido[4,5-b]quinoléine-4,6(1H,7H)-dione [French] [ACD/IUPAC Name]
5-(3,4-Dimethoxyphenyl)-8,8-dimethyl-2-[(4-nitrobenzyl)sulfanyl]-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(1H,7H)-dione [ACD/IUPAC Name]
5-(3,4-Dimethoxyphenyl)-8,8-dimethyl-2-[(4-nitrobenzyl)sulfanyl]-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Pyrimido[4,5-b]quinoline-4,6(1H,7H)-dione, 5-(3,4-dimethoxyphenyl)-5,8,9,10-tetrahydro-8,8-dimethyl-2-[[(4-nitrophenyl)methyl]thio]- [ACD/Index Name]
pyrimido[4,5-b]quinoline-4,6(3H,7H)-dione, 5-(3,4-dimethoxyphenyl)-5,8,9,10-tetrahydro-8,8-dimethyl-2-[[(4-nitrophenyl)methyl]thio]-
5-(3,4-dimethoxyphenyl)-8,8-dimethyl-2-((4-nitrobenzyl)thio)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3h,7h)-dione
5-(3,4-dimethoxyphenyl)-8,8-dimethyl-2-((4-nitrobenzyl)thio)-7,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,5H)-dione
5-(3,4-dimethoxyphenyl)-8,8-dimethyl-2-[(4-nitrophenyl)methylsulfanyl]-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione
537044-87-4 [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: 730.8±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 106.7±3.0 kJ/mol
    Flash Point: 395.8±35.7 °C
    Index of Refraction: 1.685
    Molar Refractivity: 145.8±0.5 cm3
    #H bond acceptors: 10
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 2
    ACD/LogP: 3.68
    ACD/LogD (pH 5.5): 4.33
    ACD/BCF (pH 5.5): 1142.43
    ACD/KOC (pH 5.5): 5339.63
    ACD/LogD (pH 7.4): 4.34
    ACD/BCF (pH 7.4): 1169.08
    ACD/KOC (pH 7.4): 5464.18
    Polar Surface Area: 160 Å2
    Polarizability: 57.8±0.5 10-24cm3
    Surface Tension: 56.3±7.0 dyne/cm
    Molar Volume: 383.5±7.0 cm3

    Click to predict properties on the Chemicalize site


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