ChemSpider 2D Image | 3-[(2Z)-6-Hydroxy-3-oxo-2-(3-pyridinylmethylene)-2,3-dihydro-1-benzofuran-7-yl]-3-{3-methoxy-4-[(1-methyl-1H-imidazol-2-yl)methoxy]phenyl}propanoic acid | C29H25N3O7

3-[(2Z)-6-Hydroxy-3-oxo-2-(3-pyridinylmethylene)-2,3-dihydro-1-benzofuran-7-yl]-3-{3-methoxy-4-[(1-methyl-1H-imidazol-2-yl)methoxy]phenyl}propanoic acid

  • Molecular FormulaC29H25N3O7
  • Average mass527.525 Da
  • Monoisotopic mass527.169250 Da
  • ChemSpider ID34497525

  • Double-bond stereo - Double-bond stereo

More details:

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

3-[(2Z)-6-Hydroxy-3-oxo-2-(3-pyridinylmethylen)-2,3-dihydro-1-benzofuran-7-yl]-3-{3-methoxy-4-[(1-methyl-1H-imidazol-2-yl)methoxy]phenyl}propansäure [German] [ACD/IUPAC Name]
3-[(2Z)-6-Hydroxy-3-oxo-2-(3-pyridinylmethylene)-2,3-dihydro-1-benzofuran-7-yl]-3-{3-methoxy-4-[(1-methyl-1H-imidazol-2-yl)methoxy]phenyl}propanoic acid [ACD/IUPAC Name]
7-Benzofuranpropanoic acid, 2,3-dihydro-6-hydroxy-β-[3-methoxy-4-[(1-methyl-1H-imidazol-2-yl)methoxy]phenyl]-3-oxo-2-(3-pyridinylmethylene)-, (2Z)- [ACD/Index Name]
Acide 3-[(2Z)-6-hydroxy-3-oxo-2-(3-pyridinylméthylène)-2,3-dihydro-1-benzofuran-7-yl]-3-{3-méthoxy-4-[(1-méthyl-1H-imidazol-2-yl)méthoxy]phényl}propanoïque [French] [ACD/IUPAC Name]
(Z)-3-(6-hydroxy-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-7-yl)-3-(3-methoxy-4-((1-methyl-1H-imidazol-2-yl)methoxy)phenyl)propanoic acid
1676104-36-1 [RN]
3-[(2Z)-6-hydroxy-3-oxo-2-(pyridin-3-ylmethylidene)-1-benzofuran-7-yl]-3-[3-methoxy-4-[(1-methylimidazol-2-yl)methoxy]phenyl]propanoic acid

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 818.2±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.1 mmHg at 25°C
    Enthalpy of Vaporization: 124.7±3.0 kJ/mol
    Flash Point: 448.6±34.3 °C
    Index of Refraction: 1.656
    Molar Refractivity: 140.7±0.5 cm3
    #H bond acceptors: 10
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 2
    ACD/LogP: 1.39
    ACD/LogD (pH 5.5): 0.22
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.05
    ACD/LogD (pH 7.4): -0.81
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 133 Å2
    Polarizability: 55.8±0.5 10-24cm3
    Surface Tension: 54.0±7.0 dyne/cm
    Molar Volume: 383.2±7.0 cm3

    Click to predict properties on the Chemicalize site


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