ChemSpider 2D Image | N-[(3S)-2-Oxo-3-azepanyl]-2-{[(20-oxopregn-4-en-3-ylidene)amino]oxy}acetamide | C29H43N3O4

N-[(3S)-2-Oxo-3-azepanyl]-2-{[(20-oxopregn-4-en-3-ylidene)amino]oxy}acetamide

  • Molecular FormulaC29H43N3O4
  • Average mass497.669 Da
  • Monoisotopic mass497.325348 Da
  • ChemSpider ID29766910

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

Acetamide, N-[(3S)-hexahydro-2-oxo-1H-azepin-3-yl]-2-[[(20-oxopregn-4-en-3-ylidene)amino]oxy]- [ACD/Index Name]
N-[(3S)-2-Oxo-3-azepanyl]-2-{[(20-oxopregn-4-en-3-yliden)amino]oxy}acetamid [German] [ACD/IUPAC Name]
N-[(3S)-2-Oxo-3-azepanyl]-2-{[(20-oxopregn-4-en-3-ylidene)amino]oxy}acetamide [ACD/IUPAC Name]
N-[(3S)-2-Oxo-3-azépanyl]-2-{[(20-oxoprégn-4-én-3-ylidène)amino]oxy}acétamide [French] [ACD/IUPAC Name]
2-[[(8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]oxy-N-(2-oxoazepan-3-yl)acetamide

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.3±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.648
    Molar Refractivity: 137.1±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 3.79
    ACD/LogD (pH 5.5): 3.43
    ACD/BCF (pH 5.5): 237.70
    ACD/KOC (pH 5.5): 1747.27
    ACD/LogD (pH 7.4): 3.43
    ACD/BCF (pH 7.4): 237.70
    ACD/KOC (pH 7.4): 1747.27
    Polar Surface Area: 97 Å2
    Polarizability: 54.3±0.5 10-24cm3
    Surface Tension: 50.1±7.0 dyne/cm
    Molar Volume: 376.9±7.0 cm3

    Click to predict properties on the Chemicalize site


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