ChemSpider 2D Image | 6-[({1-[3-(4-Methyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-3-yl)propanoyl]-4-piperidinyl}carbonyl)amino]hexanoic acid | C31H38N2O7

6-[({1-[3-(4-Methyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-3-yl)propanoyl]-4-piperidinyl}carbonyl)amino]hexanoic acid

  • Molecular FormulaC31H38N2O7
  • Average mass550.643 Da
  • Monoisotopic mass550.267883 Da
  • ChemSpider ID21346553

More details:

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

6-[({1-[3-(4-Methyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-3-yl)propanoyl]-4-piperidinyl}carbonyl)amino]hexanoic acid [ACD/IUPAC Name]
6-[({1-[3-(4-Methyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-3-yl)propanoyl]-4-piperidinyl}carbonyl)amino]hexansäure [German] [ACD/IUPAC Name]
Acide 6-[({1-[3-(4-méthyl-2-oxo-6,7,8,9-tétrahydro-2H-[1]benzofuro[3,2-g]chromén-3-yl)propanoyl]-4-pipéridinyl}carbonyl)amino]hexanoïque [French] [ACD/IUPAC Name]
Hexanoic acid, 6-[[[1-[1-oxo-3-(6,7,8,9-tetrahydro-4-methyl-2-oxo-2H-benzofuro[3,2-g]-1-benzopyran-3-yl)propyl]-4-piperidinyl]carbonyl]amino]- [ACD/Index Name]
6-[({1-[3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-3-yl)propanoyl]piperidin-4-yl}carbonyl)amino]hexanoic acid
6-[[1-[3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoyl]piperidine-4-carbonyl]amino]hexanoic acid
879769-16-1 [RN]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 848.4±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.3 mmHg at 25°C
    Enthalpy of Vaporization: 129.2±3.0 kJ/mol
    Flash Point: 466.9±34.3 °C
    Index of Refraction: 1.592
    Molar Refractivity: 147.4±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 1
    ACD/LogP: 4.45
    ACD/LogD (pH 5.5): 3.62
    ACD/BCF (pH 5.5): 208.98
    ACD/KOC (pH 5.5): 926.63
    ACD/LogD (pH 7.4): 1.82
    ACD/BCF (pH 7.4): 3.33
    ACD/KOC (pH 7.4): 14.76
    Polar Surface Area: 126 Å2
    Polarizability: 58.4±0.5 10-24cm3
    Surface Tension: 54.4±3.0 dyne/cm
    Molar Volume: 435.3±3.0 cm3

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