ChemSpider 2D Image | 5-(3,4-Dimethoxybenzyl)-5-{[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-2(1H)-isoquinolinyl]methyl}-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione | C28H35N3O7

5-(3,4-Dimethoxybenzyl)-5-{[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-2(1H)-isoquinolinyl]methyl}-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione

  • Molecular FormulaC28H35N3O7
  • Average mass525.593 Da
  • Monoisotopic mass525.247498 Da
  • ChemSpider ID22871012

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[[(1S)-3,4-dihydro-6,7-dimethoxy-1-methyl-2(1H)-isoquinolinyl]methyl]-5-[(3,4-dimethoxyphenyl)methyl]-1,3-dimethyl- [ACD/Index Name]
5-(3,4-Dimethoxybenzyl)-5-{[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-2(1H)-isochinolinyl]methyl}-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidintrion [German] [ACD/IUPAC Name]
5-(3,4-Diméthoxybenzyl)-5-{[(1S)-6,7-diméthoxy-1-méthyl-3,4-dihydro-2(1H)-isoquinoléinyl]méthyl}-1,3-diméthyl-2,4,6(1H,3H,5H)-pyrimidinetrione [French] [ACD/IUPAC Name]
5-(3,4-Dimethoxybenzyl)-5-{[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-2(1H)-isoquinolinyl]methyl}-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione [ACD/IUPAC Name]
452315-98-9 [RN]
5-[[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-5-[(3,4-dimethoxyphenyl)methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
AC1O46FL
MCULE-5540173064
MolPort-002-514-939
STOCK1N-28430
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 621.3±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 92.1±3.0 kJ/mol
    Flash Point: 329.5±34.3 °C
    Index of Refraction: 1.565
    Molar Refractivity: 140.6±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 0
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: 2.41
    ACD/LogD (pH 5.5): 2.36
    ACD/BCF (pH 5.5): 33.28
    ACD/KOC (pH 5.5): 380.79
    ACD/LogD (pH 7.4): 2.54
    ACD/BCF (pH 7.4): 49.80
    ACD/KOC (pH 7.4): 569.79
    Polar Surface Area: 98 Å2
    Polarizability: 55.7±0.5 10-24cm3
    Surface Tension: 45.4±3.0 dyne/cm
    Molar Volume: 431.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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