ChemSpider 2D Image | N-(2-{2-Amino-3-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]quinoxalin-1-yl}ethyl)-4-(2-methyl-2-propanyl)benzamide | C30H31N5O3S

N-(2-{2-Amino-3-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]quinoxalin-1-yl}ethyl)-4-(2-methyl-2-propanyl)benzamide

  • Molecular FormulaC30H31N5O3S
  • Average mass541.664 Da
  • Monoisotopic mass541.214783 Da
  • ChemSpider ID1499505

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

Benzamide, N-[2-[2-amino-3-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]quinoxalin-1-yl]ethyl]-4-(1,1-dimethylethyl)- [ACD/Index Name]
N-(2-{2-Amino-3-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]chinoxalin-1-yl}ethyl)-4-(2-methyl-2-propanyl)benzamid [German] [ACD/IUPAC Name]
N-(2-{2-Amino-3-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]quinoxalin-1-yl}ethyl)-4-(2-methyl-2-propanyl)benzamide [ACD/IUPAC Name]
N-(2-{2-Amino-3-[(4-méthylphényl)sulfonyl]-1H-pyrrolo[2,3-b]quinoxalin-1-yl}éthyl)-4-(2-méthyl-2-propanyl)benzamide [French] [ACD/IUPAC Name]
381717-85-7 [RN]
AC1M0469
AGN-PC-0KAPUY
AKOS005531771
MCULE-1655865044
MolPort-002-646-027
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

ZINC02353323 [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: 813.5±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.9 mmHg at 25°C
    Enthalpy of Vaporization: 118.3±3.0 kJ/mol
    Flash Point: 445.8±34.3 °C
    Index of Refraction: 1.665
    Molar Refractivity: 153.5±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 3
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 2
    ACD/LogP: 6.45
    ACD/LogD (pH 5.5): 5.32
    ACD/BCF (pH 5.5): 6485.58
    ACD/KOC (pH 5.5): 18628.64
    ACD/LogD (pH 7.4): 5.32
    ACD/BCF (pH 7.4): 6485.75
    ACD/KOC (pH 7.4): 18629.13
    Polar Surface Area: 128 Å2
    Polarizability: 60.8±0.5 10-24cm3
    Surface Tension: 52.2±7.0 dyne/cm
    Molar Volume: 413.4±7.0 cm3

    Click to predict properties on the Chemicalize site


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