ChemSpider 2D Image | N-(1H-Benzimidazol-2-ylmethyl)-5-[4-(1,3-benzodioxol-5-ylamino)-1-phthalazinyl]-2-methylbenzenesulfonamide | C30H24N6O4S

N-(1H-Benzimidazol-2-ylmethyl)-5-[4-(1,3-benzodioxol-5-ylamino)-1-phthalazinyl]-2-methylbenzenesulfonamide

  • Molecular FormulaC30H24N6O4S
  • Average mass564.614 Da
  • Monoisotopic mass564.157959 Da
  • ChemSpider ID1157574

More details:

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

Benzenesulfonamide, N-(1H-benzimidazol-2-ylmethyl)-5-[4-(1,3-benzodioxol-5-ylamino)-1-phthalazinyl]-2-methyl- [ACD/Index Name]
N-(1H-Benzimidazol-2-ylméthyl)-5-[4-(1,3-benzodioxol-5-ylamino)-1-phtalazinyl]-2-méthylbenzènesulfonamide [French] [ACD/IUPAC Name]
N-(1H-Benzimidazol-2-ylmethyl)-5-[4-(1,3-benzodioxol-5-ylamino)-1-phthalazinyl]-2-methylbenzenesulfonamide [ACD/IUPAC Name]
N-(1H-Benzimidazol-2-ylmethyl)-5-[4-(1,3-benzodioxol-5-ylamino)-1-phthalazinyl]-2-methylbenzolsulfonamid [German] [ACD/IUPAC Name]
371923-37-4 [RN]
5-[4-(Benzo[1,3]dioxol-5-ylimino)-3,4-dihydro-phthalazin-1-yl]-N-(1H-benzoimidazol-2-ylmethyl)-2-methyl-benzenesulfonamide
N-(1H-benzimidazol-2-ylmethyl)-5-[(4E)-4-(1,3-benzodioxol-5-ylimino)-3,4-dihydrophthalazin-1-yl]-2-methylbenzenesulfonamide
N-(1H-benzimidazol-2-ylmethyl)-5-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-2-methylbenzenesulfonamide

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 865.9±75.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.3 mmHg at 25°C
    Enthalpy of Vaporization: 125.8±3.0 kJ/mol
    Flash Point: 477.5±37.1 °C
    Index of Refraction: 1.735
    Molar Refractivity: 154.7±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 3
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 3
    ACD/LogP: 5.33
    ACD/LogD (pH 5.5): 4.71
    ACD/BCF (pH 5.5): 2064.96
    ACD/KOC (pH 5.5): 7446.68
    ACD/LogD (pH 7.4): 4.85
    ACD/BCF (pH 7.4): 2825.84
    ACD/KOC (pH 7.4): 10190.58
    Polar Surface Area: 140 Å2
    Polarizability: 61.3±0.5 10-24cm3
    Surface Tension: 76.7±3.0 dyne/cm
    Molar Volume: 385.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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