ChemSpider 2D Image | N-{[1-(~2~H_5_)Ethyl-2-pyrrolidinyl]methyl}-5-(ethylsulfonyl)-2-methoxybenzamide | C17H21D5N2O4S

N-{[1-(2H5)Ethyl-2-pyrrolidinyl]methyl}-5-(ethylsulfonyl)-2-methoxybenzamide

  • Molecular FormulaC17H21D5N2O4S
  • Average mass359.495 Da
  • Monoisotopic mass359.192719 Da
  • ChemSpider ID48063062

  • Non-standard isotope - Non-standard isotope

More details:

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

Benzamide, N-[[1-(ethyl-d5)-2-pyrrolidinyl]methyl]-5-(ethylsulfonyl)-2-methoxy- [ACD/Index Name]
N-{[1-(2H5)Ethyl-2-pyrrolidinyl]methyl}-5-(ethylsulfonyl)-2-methoxybenzamid [German] [ACD/IUPAC Name]
N-{[1-(2H5)Ethyl-2-pyrrolidinyl]methyl}-5-(ethylsulfonyl)-2-methoxybenzamide [ACD/IUPAC Name]
N-{[1-(2H5)Éthyl-2-pyrrolidinyl]méthyl}-5-(éthylsulfonyl)-2-méthoxybenzamide [French] [ACD/IUPAC Name]
1185004-43-6 [RN]
5-ethylsulfonyl-2-methoxy-N-[[1-(1,1,2,2,2-pentadeuterioethyl)pyrrolidin-2-yl]methyl]benzamide

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 530.0±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 80.5±3.0 kJ/mol
    Flash Point: 274.3±30.1 °C
    Index of Refraction: 1.526
    Molar Refractivity: 93.8±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 0.90
    ACD/LogD (pH 5.5): -1.94
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.79
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.23
    Polar Surface Area: 84 Å2
    Polarizability: 37.2±0.5 10-24cm3
    Surface Tension: 40.2±3.0 dyne/cm
    Molar Volume: 305.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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