ChemSpider 2D Image | 3-Hydroxy-4-{4-[(3-methylbenzyl)oxy]benzoyl}-1-[3-(4-morpholinyl)propyl]-5-(4-pyridinyl)-1,5-dihydro-2H-pyrrol-2-one | C31H33N3O5

3-Hydroxy-4-{4-[(3-methylbenzyl)oxy]benzoyl}-1-[3-(4-morpholinyl)propyl]-5-(4-pyridinyl)-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC31H33N3O5
  • Average mass527.611 Da
  • Monoisotopic mass527.242004 Da
  • ChemSpider ID21524127

More details:

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

2H-Pyrrol-2-one, 1,5-dihydro-3-hydroxy-4-[4-[(3-methylphenyl)methoxy]benzoyl]-1-[3-(4-morpholinyl)propyl]-5-(4-pyridinyl)- [ACD/Index Name]
3-Hydroxy-4-{4-[(3-methylbenzyl)oxy]benzoyl}-1-[3-(4-morpholinyl)propyl]-5-(4-pyridinyl)-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
3-Hydroxy-4-{4-[(3-methylbenzyl)oxy]benzoyl}-1-[3-(4-morpholinyl)propyl]-5-(4-pyridinyl)-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
3-Hydroxy-4-{4-[(3-méthylbenzyl)oxy]benzoyl}-1-[3-(4-morpholinyl)propyl]-5-(4-pyridinyl)-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
3-Hydroxy-4-{4-[(3-methylbenzyl)oxy]benzoyl}-1-[3-(morpholin-4-yl)propyl]-5-(pyridin-4-yl)-1,5-dihydro-2H-pyrrol-2-one
3-hydroxy-4-({4-[(3-methylbenzyl)oxy]phenyl}carbonyl)-1-[3-(morpholin-4-yl)propyl]-5-(pyridin-4-yl)-1,5-dihydro-2H-pyrrol-2-one
3-hydroxy-4-({4-[(3-methylphenyl)methoxy]phenyl}carbonyl)-1-(3-morpholin-4-ylpropyl)-5-(4-pyridyl)-3-pyrrolin-2-one
3-hydroxy-4-(4-((3-methylbenzyl)oxy)benzoyl)-1-(3-morpholinopropyl)-5-(pyridin-4-yl)-1H-pyrrol-2(5H)-one
3-hydroxy-4-{4-[(3-methylphenyl)methoxy]benzoyl}-1-[3-(morpholin-4-yl)propyl]-5-(pyridin-4-yl)-2,5-dihydro-1H-pyrrol-2-one
799840-41-8 [RN]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 748.7±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.6 mmHg at 25°C
    Enthalpy of Vaporization: 114.5±3.0 kJ/mol
    Flash Point: 406.6±32.9 °C
    Index of Refraction: 1.624
    Molar Refractivity: 147.1±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 1
    ACD/LogP: 3.47
    ACD/LogD (pH 5.5): 0.43
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.23
    ACD/LogD (pH 7.4): 0.19
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.87
    Polar Surface Area: 92 Å2
    Polarizability: 58.3±0.5 10-24cm3
    Surface Tension: 56.9±3.0 dyne/cm
    Molar Volume: 416.6±3.0 cm3

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