ChemSpider 2D Image | N-[2-(3,5-Dimethyl-1H-pyrazol-1-yl)ethyl]-N'-[4-(1,1-dioxido-1,2-thiazinan-2-yl)-3-methoxyphenyl]ethanediamide | C20H27N5O5S

N-[2-(3,5-Dimethyl-1H-pyrazol-1-yl)ethyl]-N'-[4-(1,1-dioxido-1,2-thiazinan-2-yl)-3-methoxyphenyl]ethanediamide

  • Molecular FormulaC20H27N5O5S
  • Average mass449.524 Da
  • Monoisotopic mass449.173279 Da
  • ChemSpider ID26036081

More details:

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

Ethanediamide, N1-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-N2-[3-methoxy-4-(tetrahydro-1,1-dioxido-2H-1,2-thiazin-2-yl)phenyl]- [ACD/Index Name]
N-[2-(3,5-Dimethyl-1H-pyrazol-1-yl)ethyl]-N'-[4-(1,1-dioxido-1,2-thiazinan-2-yl)-3-methoxyphenyl]ethandiamid [German] [ACD/IUPAC Name]
N-[2-(3,5-Dimethyl-1H-pyrazol-1-yl)ethyl]-N'-[4-(1,1-dioxido-1,2-thiazinan-2-yl)-3-methoxyphenyl]ethanediamide [ACD/IUPAC Name]
N-[2-(3,5-Diméthyl-1H-pyrazol-1-yl)éthyl]-N'-[4-(1,1-dioxydo-1,2-thiazinan-2-yl)-3-méthoxyphényl]éthanediamide [French] [ACD/IUPAC Name]
1219553-52-2 [RN]
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N'-[4-(1,1-dioxothiazinan-2-yl)-3-methoxyphenyl]oxamide

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

    Density: 1.4±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.640
    Molar Refractivity: 116.4±0.5 cm3
    #H bond acceptors: 10
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 1.14
    ACD/LogD (pH 5.5): 0.93
    ACD/BCF (pH 5.5): 3.01
    ACD/KOC (pH 5.5): 76.60
    ACD/LogD (pH 7.4): 0.93
    ACD/BCF (pH 7.4): 3.02
    ACD/KOC (pH 7.4): 76.73
    Polar Surface Area: 131 Å2
    Polarizability: 46.2±0.5 10-24cm3
    Surface Tension: 54.6±7.0 dyne/cm
    Molar Volume: 323.2±7.0 cm3

    Click to predict properties on the Chemicalize site


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