ChemSpider 2D Image | N,N-Diethyl-4-[(4-{3-[(1-hydroxy-2-methyl-2-propanyl)sulfamoyl]-4-methylphenyl}-1-phthalazinyl)amino]benzamide | C30H35N5O4S

N,N-Diethyl-4-[(4-{3-[(1-hydroxy-2-methyl-2-propanyl)sulfamoyl]-4-methylphenyl}-1-phthalazinyl)amino]benzamide

  • Molecular FormulaC30H35N5O4S
  • Average mass561.695 Da
  • Monoisotopic mass561.240967 Da
  • ChemSpider ID4914306

More details:

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

Benzamide, N,N-diethyl-4-[[4-[3-[[(2-hydroxy-1,1-dimethylethyl)amino]sulfonyl]-4-methylphenyl]-1-phthalazinyl]amino]- [ACD/Index Name]
N,N-Diéthyl-4-[(4-{3-[(1-hydroxy-2-méthyl-2-propanyl)sulfamoyl]-4-méthylphényl}-1-phtalazinyl)amino]benzamide [French] [ACD/IUPAC Name]
N,N-Diethyl-4-[(4-{3-[(1-hydroxy-2-methyl-2-propanyl)sulfamoyl]-4-methylphenyl}-1-phthalazinyl)amino]benzamid [German] [ACD/IUPAC Name]
N,N-Diethyl-4-[(4-{3-[(1-hydroxy-2-methyl-2-propanyl)sulfamoyl]-4-methylphenyl}-1-phthalazinyl)amino]benzamide [ACD/IUPAC Name]
524687-08-9 [RN]
N,N-diethyl-4-[(4-{3-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]-4-methylphenyl}phthalazin-1-yl)amino]benzamide
N,N-diethyl-4-[[4-[3-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]-4-methylphenyl]phthalazin-1-yl]amino]benzamide
N,N-Diethyl-4-{4-[3-(2-hydroxy-1,1-dimethyl-ethylsulfamoyl)-4-methyl-phenyl]-phthalazin-1-ylamino}-benzamide

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

ZINC01270064 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 798.7±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.0 mmHg at 25°C
    Enthalpy of Vaporization: 121.8±3.0 kJ/mol
    Flash Point: 436.8±35.7 °C
    Index of Refraction: 1.627
    Molar Refractivity: 157.3±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 3
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 1
    ACD/LogP: 3.52
    ACD/LogD (pH 5.5): 3.86
    ACD/BCF (pH 5.5): 487.70
    ACD/KOC (pH 5.5): 2815.63
    ACD/LogD (pH 7.4): 3.91
    ACD/BCF (pH 7.4): 554.60
    ACD/KOC (pH 7.4): 3201.89
    Polar Surface Area: 133 Å2
    Polarizability: 62.3±0.5 10-24cm3
    Surface Tension: 57.6±3.0 dyne/cm
    Molar Volume: 443.6±3.0 cm3

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