ChemSpider 2D Image | N-[(1S,2R)-6,7-Dimethoxy-1-(5-propyl-3-thienyl)-1,2,3,4-tetrahydro-2-naphthalenyl]-N-(methoxymethyl)-4-nitrobenzenesulfonamide | C27H32N2O7S2

N-[(1S,2R)-6,7-Dimethoxy-1-(5-propyl-3-thienyl)-1,2,3,4-tetrahydro-2-naphthalenyl]-N-(methoxymethyl)-4-nitrobenzenesulfonamide

  • Molecular FormulaC27H32N2O7S2
  • Average mass560.682 Da
  • Monoisotopic mass560.165100 Da
  • ChemSpider ID64849811

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Benzenesulfonamide, N-(methoxymethyl)-4-nitro-N-[(1S,2R)-1,2,3,4-tetrahydro-6,7-dimethoxy-1-(5-propyl-3-thienyl)-2-naphthalenyl]- [ACD/Index Name]
N-[(1S,2R)-6,7-Diméthoxy-1-(5-propyl-3-thiényl)-1,2,3,4-tétrahydro-2-naphtalényl]-N-(méthoxyméthyl)-4-nitrobenzènesulfonamide [French] [ACD/IUPAC Name]
N-[(1S,2R)-6,7-Dimethoxy-1-(5-propyl-3-thienyl)-1,2,3,4-tetrahydro-2-naphthalenyl]-N-(methoxymethyl)-4-nitrobenzenesulfonamide [ACD/IUPAC Name]
N-[(1S,2R)-6,7-Dimethoxy-1-(5-propyl-3-thienyl)-1,2,3,4-tetrahydro-2-naphthalinyl]-N-(methoxymethyl)-4-nitrobenzolsulfonamid [German] [ACD/IUPAC Name]
1290633-54-3 [RN]
n-((1s,2r)-6,7-dimethoxy-1-(5-propylthiophen-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl)-n-(methoxymethyl)-4-nitrobenzenesulfonamide

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 680.8±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 99.9±3.0 kJ/mol
    Flash Point: 365.6±34.3 °C
    Index of Refraction: 1.629
    Molar Refractivity: 147.1±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 0
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 2
    ACD/LogP: 7.09
    ACD/LogD (pH 5.5): 6.20
    ACD/BCF (pH 5.5): 30347.06
    ACD/KOC (pH 5.5): 56219.07
    ACD/LogD (pH 7.4): 6.20
    ACD/BCF (pH 7.4): 30347.06
    ACD/KOC (pH 7.4): 56219.07
    Polar Surface Area: 148 Å2
    Polarizability: 58.3±0.5 10-24cm3
    Surface Tension: 61.9±5.0 dyne/cm
    Molar Volume: 413.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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