ChemSpider 2D Image | 5-[4-(1,3-Benzodioxol-5-ylamino)-1-phthalazinyl]-2-methyl-N-(tetrahydro-2-furanylmethyl)benzenesulfonamide | C27H26N4O5S

5-[4-(1,3-Benzodioxol-5-ylamino)-1-phthalazinyl]-2-methyl-N-(tetrahydro-2-furanylmethyl)benzenesulfonamide

  • Molecular FormulaC27H26N4O5S
  • Average mass518.584 Da
  • Monoisotopic mass518.162415 Da
  • ChemSpider ID4313044

More details:

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

5-[4-(1,3-Benzodioxol-5-ylamino)-1-phtalazinyl]-2-méthyl-N-(tétrahydro-2-furanylméthyl)benzènesulfonamide [French] [ACD/IUPAC Name]
5-[4-(1,3-Benzodioxol-5-ylamino)-1-phthalazinyl]-2-methyl-N-(tetrahydro-2-furanylmethyl)benzenesulfonamide [ACD/IUPAC Name]
5-[4-(1,3-Benzodioxol-5-ylamino)-1-phthalazinyl]-2-methyl-N-(tetrahydro-2-furanylmethyl)benzolsulfonamid [German] [ACD/IUPAC Name]
5-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-2-methyl-N-(tetrahydrofuran-2-ylmethyl)benzenesulfonamide
benzenesulfonamide, 5-[(4E)-4-(1,3-benzodioxol-5-ylimino)-3,4-dihydro-1-phthalazinyl]-2-methyl-N-[(tetrahydro-2-furanyl)methyl]-
Benzenesulfonamide, 5-[4-(1,3-benzodioxol-5-ylamino)-1-phthalazinyl]-2-methyl-N-[(tetrahydro-2-furanyl)methyl]- [ACD/Index Name]
442648-46-6 [RN]
5-[(4E)-4-(1,3-benzodioxol-5-ylimino)-3,4-dihydrophthalazin-1-yl]-2-methyl-N-(tetrahydrofuran-2-ylmethyl)benzenesulfonamide
5-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-2-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
5-[4-(Benzo[1,3]dioxol-5-ylamino)-phthalazin-1-yl]-2-methyl-N-(tetrahydro-furan-2-ylmethyl)-benzenesulfonamide

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 745.3±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 108.7±3.0 kJ/mol
    Flash Point: 404.5±35.7 °C
    Index of Refraction: 1.663
    Molar Refractivity: 139.0±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 3.95
    ACD/LogD (pH 5.5): 3.87
    ACD/BCF (pH 5.5): 488.27
    ACD/KOC (pH 5.5): 2766.44
    ACD/LogD (pH 7.4): 3.95
    ACD/BCF (pH 7.4): 590.92
    ACD/KOC (pH 7.4): 3348.02
    Polar Surface Area: 120 Å2
    Polarizability: 55.1±0.5 10-24cm3
    Surface Tension: 62.6±3.0 dyne/cm
    Molar Volume: 375.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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