ChemSpider 2D Image | 5-(3,4-Dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-imino-8,8-dimethyl-3,4,5,7,8,9-hexahydro-6H-chromeno[2,3-d]pyrimidin-6-one | C31H35N3O6

5-(3,4-Dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-imino-8,8-dimethyl-3,4,5,7,8,9-hexahydro-6H-chromeno[2,3-d]pyrimidin-6-one

  • Molecular FormulaC31H35N3O6
  • Average mass545.626 Da
  • Monoisotopic mass545.252563 Da
  • ChemSpider ID21525299

More details:

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

5-(3,4-Dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-imino-8,8-dimethyl-3,4,5,7,8,9-hexahydro-6H-chromeno[2,3-d]pyrimidin-6-on [German] [ACD/IUPAC Name]
5-(3,4-Dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-imino-8,8-dimethyl-3,4,5,7,8,9-hexahydro-6H-chromeno[2,3-d]pyrimidin-6-one [ACD/IUPAC Name]
5-(3,4-Diméthoxyphényl)-3-[2-(3,4-diméthoxyphényl)éthyl]-4-imino-8,8-diméthyl-3,4,5,7,8,9-hexahydro-6H-chroméno[2,3-d]pyrimidin-6-one [French] [ACD/IUPAC Name]
6H-[1]Benzopyrano[2,3-d]pyrimidin-6-one, 5-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-3,4,5,7,8,9-hexahydro-4-imino-8,8-dimethyl- [ACD/Index Name]
5-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-imino-8,8-dimethyl-7,9-dihydro-5H-chromeno[2,3-d]pyrimidin-6-one
845668-56-6 [RN]
AC1MP8X5
AGN-PC-0KUAK7
AKOS005502986
MCULE-3282988906
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 676.7±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 99.3±3.0 kJ/mol
    Flash Point: 363.1±34.3 °C
    Index of Refraction: 1.608
    Molar Refractivity: 148.8±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 1
    ACD/LogP: 3.37
    ACD/LogD (pH 5.5): 3.11
    ACD/BCF (pH 5.5): 98.56
    ACD/KOC (pH 5.5): 629.90
    ACD/LogD (pH 7.4): 3.69
    ACD/BCF (pH 7.4): 374.63
    ACD/KOC (pH 7.4): 2394.21
    Polar Surface Area: 103 Å2
    Polarizability: 59.0±0.5 10-24cm3
    Surface Tension: 44.2±7.0 dyne/cm
    Molar Volume: 430.4±7.0 cm3

    Click to predict properties on the Chemicalize site


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