ChemSpider 2D Image | 3,4,5-Trimethoxy-N-[(2S)-1-oxo-3-phenyl-1-(1,5,6,7-tetrahydro-1'H-spiro[imidazo[4,5-c]pyridine-4,4'-piperidin]-1'-yl)-2-propanyl]benzamide | C29H35N5O5

3,4,5-Trimethoxy-N-[(2S)-1-oxo-3-phenyl-1-(1,5,6,7-tetrahydro-1'H-spiro[imidazo[4,5-c]pyridine-4,4'-piperidin]-1'-yl)-2-propanyl]benzamide

  • Molecular FormulaC29H35N5O5
  • Average mass533.619 Da
  • Monoisotopic mass533.263794 Da
  • ChemSpider ID17472873

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3,4,5-Trimethoxy-N-[(2S)-1-oxo-3-phenyl-1-(1,5,6,7-tetrahydro-1'H-spiro[imidazo[4,5-c]pyridine-4,4'-piperidin]-1'-yl)-2-propanyl]benzamide [ACD/IUPAC Name]
Benzamide, 3,4,5-trimethoxy-N-[(1S)-2-oxo-1-(phenylmethyl)-2-(1,5,6,7-tetrahydrospiro[4H-imidazo[4,5-c]pyridine-4,4'-piperidin]-1'-yl)ethyl]- [ACD/Index Name]
1212385-48-2 [RN]
3,4,5-trimethoxy-N-[(2S)-1-oxo-3-phenyl-1-spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,4'-piperidine]-1'-ylpropan-2-yl]benzamide

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 777.9±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.7 mmHg at 25°C
    Enthalpy of Vaporization: 113.2±3.0 kJ/mol
    Flash Point: 424.3±32.9 °C
    Index of Refraction: 1.638
    Molar Refractivity: 145.2±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 3
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: 1.28
    ACD/LogD (pH 5.5): -0.49
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.39
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 6.75
    Polar Surface Area: 118 Å2
    Polarizability: 57.6±0.5 10-24cm3
    Surface Tension: 65.9±5.0 dyne/cm
    Molar Volume: 404.1±5.0 cm3

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