ChemSpider 2D Image | 3-{2-[4-(2-Hydroxyethyl)-1-piperazinyl]-2-oxoethyl}-4,7-dimethyl-5-[(2-methyl-2-propen-1-yl)oxy]-2H-chromen-2-one | C23H30N2O5

3-{2-[4-(2-Hydroxyethyl)-1-piperazinyl]-2-oxoethyl}-4,7-dimethyl-5-[(2-methyl-2-propen-1-yl)oxy]-2H-chromen-2-one

  • Molecular FormulaC23H30N2O5
  • Average mass414.495 Da
  • Monoisotopic mass414.215485 Da
  • ChemSpider ID21532064

More details:

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

2H-1-Benzopyran-2-one, 3-[2-[4-(2-hydroxyethyl)-1-piperazinyl]-2-oxoethyl]-4,7-dimethyl-5-[(2-methyl-2-propen-1-yl)oxy]- [ACD/Index Name]
3-{2-[4-(2-Hydroxyethyl)-1-piperazinyl]-2-oxoethyl}-4,7-dimethyl-5-[(2-methyl-2-propen-1-yl)oxy]-2H-chromen-2-on [German] [ACD/IUPAC Name]
3-{2-[4-(2-Hydroxyethyl)-1-piperazinyl]-2-oxoethyl}-4,7-dimethyl-5-[(2-methyl-2-propen-1-yl)oxy]-2H-chromen-2-one [ACD/IUPAC Name]
3-{2-[4-(2-Hydroxyéthyl)-1-pipérazinyl]-2-oxoéthyl}-4,7-diméthyl-5-[(2-méthyl-2-propén-1-yl)oxy]-2H-chromén-2-one [French] [ACD/IUPAC Name]
3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-4,7-dimethyl-5-(2-methylprop-2-enoxy)chromen-2-one
3-{2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl}-4,7-dimethyl-5-[(2-methylprop-2-en-1-yl)oxy]-2H-chromen-2-one
919743-65-0 [RN]
AGN-PC-01KI1R
MCULE-9185446472
MolPort-002-675-035
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 635.2±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 98.7±3.0 kJ/mol
    Flash Point: 338.0±31.5 °C
    Index of Refraction: 1.562
    Molar Refractivity: 113.1±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 3.74
    ACD/LogD (pH 5.5): 2.48
    ACD/BCF (pH 5.5): 37.22
    ACD/KOC (pH 5.5): 365.35
    ACD/LogD (pH 7.4): 2.84
    ACD/BCF (pH 7.4): 84.54
    ACD/KOC (pH 7.4): 829.83
    Polar Surface Area: 79 Å2
    Polarizability: 44.8±0.5 10-24cm3
    Surface Tension: 45.7±3.0 dyne/cm
    Molar Volume: 348.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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