ChemSpider 2D Image | N-(1-Benzyl-4-piperidinyl)-1-(4-ethoxy-3-methoxyphenyl)-9H-beta-carboline-3-carboxamide | C33H34N4O3

N-(1-Benzyl-4-piperidinyl)-1-(4-ethoxy-3-methoxyphenyl)-9H-β-carboline-3-carboxamide

  • Molecular FormulaC33H34N4O3
  • Average mass534.648 Da
  • Monoisotopic mass534.263062 Da
  • ChemSpider ID4699517

More details:

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

9H-Pyrido[3,4-b]indole-3-carboxamide, 1-(4-ethoxy-3-methoxyphenyl)-N-[1-(phenylmethyl)-4-piperidinyl]- [ACD/Index Name]
N-(1-Benzyl-4-piperidinyl)-1-(4-ethoxy-3-methoxyphenyl)-9H-β-carbolin-3-carboxamid [German] [ACD/IUPAC Name]
N-(1-Benzyl-4-piperidinyl)-1-(4-ethoxy-3-methoxyphenyl)-9H-β-carboline-3-carboxamide [ACD/IUPAC Name]
N-(1-Benzyl-4-pipéridinyl)-1-(4-éthoxy-3-méthoxyphényl)-9H-β-carboline-3-carboxamide [French] [ACD/IUPAC Name]
859861-84-0 [RN]
AC1NXGQG
AGN-PC-0LRS3L
MCULE-5701638928
MolPort-002-524-561
N-(1-benzylpiperidin-4-yl)-1-(4-ethoxy-3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide
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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: 748.0±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 109.0±3.0 kJ/mol
    Flash Point: 406.2±32.9 °C
    Index of Refraction: 1.691
    Molar Refractivity: 158.4±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: 5.32
    ACD/LogD (pH 5.5): 2.42
    ACD/BCF (pH 5.5): 9.76
    ACD/KOC (pH 5.5): 32.68
    ACD/LogD (pH 7.4): 4.20
    ACD/BCF (pH 7.4): 587.87
    ACD/KOC (pH 7.4): 1968.23
    Polar Surface Area: 79 Å2
    Polarizability: 62.8±0.5 10-24cm3
    Surface Tension: 66.7±5.0 dyne/cm
    Molar Volume: 413.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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