ChemSpider 2D Image | 3-{(E)-[4-(Decyloxy)benzylidene]amino}-7,8-dimethoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione | C29H36N4O5

3-{(E)-[4-(Decyloxy)benzylidene]amino}-7,8-dimethoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione

  • Molecular FormulaC29H36N4O5
  • Average mass520.620 Da
  • Monoisotopic mass520.268555 Da
  • ChemSpider ID7907384

  • Double-bond stereo - Double-bond stereo

More details:

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

1H-Pyrimido[5,4-b]indole-2,4(3H,5H)-dione, 3-[[(1E)-[4-(decyloxy)phenyl]methylene]amino]-7,8-dimethoxy- [ACD/Index Name]
3-({(E)-[4-(Decyloxy)phenyl]methylene}amino)-7,8-dimethoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
3-{(E)-[4-(Decyloxy)benzyliden]amino}-7,8-dimethoxy-1H-pyrimido[5,4-b]indol-2,4(3H,5H)-dion [German] [ACD/IUPAC Name]
3-{(E)-[4-(Decyloxy)benzylidene]amino}-7,8-dimethoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione [ACD/IUPAC Name]
3-{(E)-[4-(Décyloxy)benzylidène]amino}-7,8-diméthoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione [French] [ACD/IUPAC Name]
3-({(E)-[4-(decyloxy)phenyl]methylidene}amino)-7,8-dimethoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
3-[(E)-(4-decoxyphenyl)methylideneamino]-7,8-dimethoxy-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
384799-14-8 [RN]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.602
    Molar Refractivity: 144.4±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 14
    #Rule of 5 Violations: 2
    ACD/LogP: 6.93
    ACD/LogD (pH 5.5): 7.17
    ACD/BCF (pH 5.5): 165444.47
    ACD/KOC (pH 5.5): 189272.78
    ACD/LogD (pH 7.4): 7.17
    ACD/BCF (pH 7.4): 165444.11
    ACD/KOC (pH 7.4): 189272.36
    Polar Surface Area: 105 Å2
    Polarizability: 57.3±0.5 10-24cm3
    Surface Tension: 45.7±7.0 dyne/cm
    Molar Volume: 421.0±7.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement