ChemSpider 2D Image | 6-[(7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)amino]-N-[(1-methyl-1H-pyrrol-2-yl)methyl]hexanamide | C33H42N4O6

6-[(7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)amino]-N-[(1-methyl-1H-pyrrol-2-yl)methyl]hexanamide

  • Molecular FormulaC33H42N4O6
  • Average mass590.710 Da
  • Monoisotopic mass590.310425 Da
  • ChemSpider ID60759370

More details:

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

6-[(7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)amino]-N-[(1-methyl-1H-pyrrol-2-yl)methyl]hexanamid [German] [ACD/IUPAC Name]
6-[(7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)amino]-N-[(1-methyl-1H-pyrrol-2-yl)methyl]hexanamide [ACD/IUPAC Name]
6-[(7-Acétamido-1,2,3-triméthoxy-9-oxo-5,6,7,9-tétrahydrobenzo[a]heptalén-10-yl)amino]-N-[(1-méthyl-1H-pyrrol-2-yl)méthyl]hexanamide [French] [ACD/IUPAC Name]
Hexanamide, 6-[[7-(acetylamino)-5,6,7,9-tetrahydro-1,2,3-trimethoxy-9-oxobenzo[a]heptalen-10-yl]amino]-N-[(1-methyl-1H-pyrrol-2-yl)methyl]- [ACD/Index Name]
6-[(7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl)amino]-N-[(1-methylpyrrol-2-yl)methyl]hexanamide

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 934.4±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 136.0±3.0 kJ/mol
    Flash Point: 518.9±34.3 °C
    Index of Refraction: 1.595
    Molar Refractivity: 163.4±0.5 cm3
    #H bond acceptors: 10
    #H bond donors: 3
    #Freely Rotating Bonds: 13
    #Rule of 5 Violations: 2
    ACD/LogP: 1.24
    ACD/LogD (pH 5.5): 2.47
    ACD/BCF (pH 5.5): 44.70
    ACD/KOC (pH 5.5): 528.08
    ACD/LogD (pH 7.4): 2.47
    ACD/BCF (pH 7.4): 44.77
    ACD/KOC (pH 7.4): 528.94
    Polar Surface Area: 120 Å2
    Polarizability: 64.8±0.5 10-24cm3
    Surface Tension: 44.3±7.0 dyne/cm
    Molar Volume: 480.6±7.0 cm3

    Click to predict properties on the Chemicalize site


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