ChemSpider 2D Image | 5-[4-(2-Hydroxy-2-phenylethoxy)benzyl]-1,3-dimethyl-5-[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)methyl]-2,4,6(1H,3H,5H)-pyrimidinetrione | C33H36N4O6

5-[4-(2-Hydroxy-2-phenylethoxy)benzyl]-1,3-dimethyl-5-[(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)methyl]-2,4,6(1H,3H,5H)-pyrimidinetrione

  • Molecular FormulaC33H36N4O6
  • Average mass584.662 Da
  • Monoisotopic mass584.263489 Da
  • ChemSpider ID2992278

More details:

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

2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[[4-(2-hydroxy-2-phenylethoxy)phenyl]methyl]-1,3-dimethyl-5-[(1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl)methyl]- [ACD/Index Name]
5-[4-(2-Hydroxy-2-phenylethoxy)benzyl]-1,3-dimethyl-5-[(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)methyl]-2,4,6(1H,3H,5H)-pyrimidinetrione [ACD/IUPAC Name]
5-[4-(2-Hydroxy-2-phényléthoxy)benzyl]-1,3-diméthyl-5-[(6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridéca-2,4-dién-11-yl)méthyl]-2,4,6(1H,3H,5H)-pyrimidinetrione [French] [ACD/IUPAC Name]
5-[4-(2-Hydroxy-2-phenylethoxy)benzyl]-1,3-dimethyl-5-[(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)methyl]-2,4,6(1H,3H,5H)-pyrimidintrion [German] [ACD/IUPAC Name]
1212126-46-9 [RN]
5-(4-(2-hydroxy-2-phenylethoxy)benzyl)-1,3-dimethyl-5-((8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)methyl)pyrimidine-2,4,6(1H,3H,5H)-trione

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 789.2±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.9 mmHg at 25°C
    Enthalpy of Vaporization: 120.4±3.0 kJ/mol
    Flash Point: 431.1±35.7 °C
    Index of Refraction: 1.684
    Molar Refractivity: 159.3±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 1
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: 1.20
    ACD/LogD (pH 5.5): 0.99
    ACD/BCF (pH 5.5): 2.02
    ACD/KOC (pH 5.5): 31.63
    ACD/LogD (pH 7.4): 1.87
    ACD/BCF (pH 7.4): 15.21
    ACD/KOC (pH 7.4): 238.21
    Polar Surface Area: 111 Å2
    Polarizability: 63.2±0.5 10-24cm3
    Surface Tension: 72.4±5.0 dyne/cm
    Molar Volume: 419.7±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement