ChemSpider 2D Image | 6-[({1-[(7-Hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)acetyl]-4-phenyl-4-piperidinyl}carbonyl)amino]hexanoic acid | C31H36N2O7

6-[({1-[(7-Hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)acetyl]-4-phenyl-4-piperidinyl}carbonyl)amino]hexanoic acid

  • Molecular FormulaC31H36N2O7
  • Average mass548.627 Da
  • Monoisotopic mass548.252258 Da
  • ChemSpider ID21527400

More details:

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

6-[({1-[(7-Hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)acetyl]-4-phenyl-4-piperidinyl}carbonyl)amino]hexanoic acid [ACD/IUPAC Name]
6-[({1-[(7-Hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)acetyl]-4-phenyl-4-piperidinyl}carbonyl)amino]hexansäure [German] [ACD/IUPAC Name]
Acide 6-[({1-[2-(7-hydroxy-4,8-diméthyl-2-oxo-2H-chromén-3-yl)acétyl]-4-phényl-4-pipéridinyl}carbonyl)amino]hexanoïque [French] [ACD/IUPAC Name]
Hexanoic acid, 6-[[[1-[2-(7-hydroxy-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl)acetyl]-4-phenyl-4-piperidinyl]carbonyl]amino]- [ACD/Index Name]
6-(1-(2-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)acetyl)-4-phenylpiperidine-4-carboxamido)hexanoic acid
6-[({1-[(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)acetyl]-4-phenylpiperidin-4-yl}carbonyl)amino]hexanoic acid
6-[[1-[2-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)acetyl]-4-phenylpiperidine-4-carbonyl]amino]hexanoic acid
898917-13-0 [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: 848.8±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.3 mmHg at 25°C
    Enthalpy of Vaporization: 129.3±3.0 kJ/mol
    Flash Point: 467.1±34.3 °C
    Index of Refraction: 1.595
    Molar Refractivity: 146.9±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 3
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 1
    ACD/LogP: 4.28
    ACD/LogD (pH 5.5): 3.60
    ACD/BCF (pH 5.5): 201.54
    ACD/KOC (pH 5.5): 902.34
    ACD/LogD (pH 7.4): 1.75
    ACD/BCF (pH 7.4): 2.85
    ACD/KOC (pH 7.4): 12.77
    Polar Surface Area: 133 Å2
    Polarizability: 58.2±0.5 10-24cm3
    Surface Tension: 55.6±3.0 dyne/cm
    Molar Volume: 432.4±3.0 cm3

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