ChemSpider 2D Image | (9R)-11-[(4-Methylphenyl)sulfonyl]-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-6-one | C18H20N2O3S

(9R)-11-[(4-Methylphenyl)sulfonyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

  • Molecular FormulaC18H20N2O3S
  • Average mass344.428 Da
  • Monoisotopic mass344.119476 Da
  • ChemSpider ID64849861

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(9R)-11-[(4-Methylphenyl)sulfonyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-on [German] [ACD/IUPAC Name]
(9R)-11-[(4-Methylphenyl)sulfonyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one [ACD/IUPAC Name]
(9R)-11-[(4-Méthylphényl)sulfonyl]-7,11-diazatricyclo[7.3.1.02,7]tridéca-2,4-dién-6-one [French] [ACD/IUPAC Name]
1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 1,2,3,4,5,6-hexahydro-3-[(4-methylphenyl)sulfonyl]-, (5R)- [ACD/Index Name]
(1R,5R)-3-tosyl-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one
1195126-66-9 [RN]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 588.5±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 87.8±3.0 kJ/mol
    Flash Point: 309.7±32.9 °C
    Index of Refraction: 1.672
    Molar Refractivity: 92.4±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.15
    ACD/LogD (pH 5.5): 1.88
    ACD/BCF (pH 5.5): 15.67
    ACD/KOC (pH 5.5): 249.45
    ACD/LogD (pH 7.4): 1.88
    ACD/BCF (pH 7.4): 15.67
    ACD/KOC (pH 7.4): 249.45
    Polar Surface Area: 66 Å2
    Polarizability: 36.6±0.5 10-24cm3
    Surface Tension: 64.4±5.0 dyne/cm
    Molar Volume: 246.8±5.0 cm3

    Click to predict properties on the Chemicalize site


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