ChemSpider 2D Image | Ethyl 6-ethyl-7-hydroxy-3-(1-methyl-1H-benzimidazol-2-yl)-8-[(3-methyl-1-piperidinyl)methyl]-4-oxo-4H-chromene-2-carboxylate | C29H33N3O5

Ethyl 6-ethyl-7-hydroxy-3-(1-methyl-1H-benzimidazol-2-yl)-8-[(3-methyl-1-piperidinyl)methyl]-4-oxo-4H-chromene-2-carboxylate

  • Molecular FormulaC29H33N3O5
  • Average mass503.589 Da
  • Monoisotopic mass503.242035 Da
  • ChemSpider ID2967531

More details:

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

4H-1-Benzopyran-2-carboxylic acid, 6-ethyl-7-hydroxy-3-(1-methyl-1H-benzimidazol-2-yl)-8-[(3-methyl-1-piperidinyl)methyl]-4-oxo-, ethyl ester [ACD/Index Name]
6-Éthyl-7-hydroxy-3-(1-méthyl-1H-benzimidazol-2-yl)-8-[(3-méthyl-1-pipéridinyl)méthyl]-4-oxo-4H-chromène-2-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 6-ethyl-7-hydroxy-3-(1-methyl-1H-benzimidazol-2-yl)-8-[(3-methyl-1-piperidinyl)methyl]-4-oxo-4H-chromene-2-carboxylate [ACD/IUPAC Name]
ethyl 6-ethyl-7-hydroxy-3-(1-methyl-1H-benzimidazol-2-yl)-8-[(3-methylpiperidin-1-yl)methyl]-4-oxo-4H-chromene-2-carboxylate
Ethyl-6-ethyl-7-hydroxy-3-(1-methyl-1H-benzimidazol-2-yl)-8-[(3-methyl-1-piperidinyl)methyl]-4-oxo-4H-chromen-2-carboxylat [German] [ACD/IUPAC Name]
2-(ethoxycarbonyl)-6-ethyl-3-(1-methyl-1H-benzimidazol-2-yl)-8-[(3-methylpiperidinium-1-yl)methyl]-4-oxo-4H-chromen-7-olate
2-ethoxycarbonyl-6-ethyl-3-(1-methylbenzimidazol-2-yl)-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-4-oxochromen-7-olate
610759-66-5 [RN]
6-Ethyl-7-hydroxy-3-(1-methyl-1H-benzoimidazol-2-yl)-8-(3-methyl-piperidin-1-ylmethyl)-4-oxo-4H-chromene-2-carboxylic acid ethyl ester
ethyl 6-ethyl-7-hydroxy-3-(1-methylbenzimidazol-2-yl)-8-[(3-methylpiperidin-1-yl)methyl]-4-oxochromene-2-carboxylate
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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: 670.3±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 102.0±3.0 kJ/mol
    Flash Point: 359.2±34.3 °C
    Index of Refraction: 1.644
    Molar Refractivity: 139.0±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 4.71
    ACD/LogD (pH 5.5): 1.60
    ACD/BCF (pH 5.5): 2.16
    ACD/KOC (pH 5.5): 10.19
    ACD/LogD (pH 7.4): 2.08
    ACD/BCF (pH 7.4): 6.47
    ACD/KOC (pH 7.4): 30.46
    Polar Surface Area: 94 Å2
    Polarizability: 55.1±0.5 10-24cm3
    Surface Tension: 48.6±7.0 dyne/cm
    Molar Volume: 383.9±7.0 cm3

    Click to predict properties on the Chemicalize site


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