ChemSpider 2D Image | Methyl 3-[(2-cyclohexyl-3-oxo-2,3,4,5,6,7-hexahydro-1H-isoindol-1-yl)amino]-3-(4-fluoro-3-phenoxyphenyl)propanoate | C30H35FN2O4

Methyl 3-[(2-cyclohexyl-3-oxo-2,3,4,5,6,7-hexahydro-1H-isoindol-1-yl)amino]-3-(4-fluoro-3-phenoxyphenyl)propanoate

  • Molecular FormulaC30H35FN2O4
  • Average mass506.608 Da
  • Monoisotopic mass506.258087 Da
  • ChemSpider ID21679241

More details:

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

3-[(2-Cyclohexyl-3-oxo-2,3,4,5,6,7-hexahydro-1H-isoindol-1-yl)amino]-3-(4-fluoro-3-phénoxyphényl)propanoate de méthyle [French] [ACD/IUPAC Name]
Benzenepropanoic acid, β-[(2-cyclohexyl-2,3,4,5,6,7-hexahydro-3-oxo-1H-isoindol-1-yl)amino]-4-fluoro-3-phenoxy-, methyl ester [ACD/Index Name]
Methyl 3-[(2-cyclohexyl-3-oxo-2,3,4,5,6,7-hexahydro-1H-isoindol-1-yl)amino]-3-(4-fluoro-3-phenoxyphenyl)propanoate [ACD/IUPAC Name]
Methyl-3-[(2-cyclohexyl-3-oxo-2,3,4,5,6,7-hexahydro-1H-isoindol-1-yl)amino]-3-(4-fluor-3-phenoxyphenyl)propanoat [German] [ACD/IUPAC Name]
3-(2-Cyclohexyl-3-oxo-2,3,4,5,6,7-hexahydro-1H-isoindol-1-ylamino)-3-(4-fluoro-3-phenoxy-phenyl)-propionic acid methyl ester
896080-87-8 [RN]
methyl 3-((2-cyclohexyl-3-oxo-2,3,4,5,6,7-hexahydro-1H-isoindol-1-yl)amino)-3-(4-fluoro-3-phenoxyphenyl)propanoate
methyl 3-[(2-cyclohexyl-3-oxo-4,5,6,7-tetrahydro-1H-isoindol-1-yl)amino]-3-(4-fluoro-3-phenoxyphenyl)propanoate

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 661.4±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 97.3±3.0 kJ/mol
    Flash Point: 353.8±31.5 °C
    Index of Refraction: 1.605
    Molar Refractivity: 139.4±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 2
    ACD/LogP: 6.40
    ACD/LogD (pH 5.5): 5.34
    ACD/BCF (pH 5.5): 6719.71
    ACD/KOC (pH 5.5): 18956.37
    ACD/LogD (pH 7.4): 5.35
    ACD/BCF (pH 7.4): 6907.92
    ACD/KOC (pH 7.4): 19487.31
    Polar Surface Area: 68 Å2
    Polarizability: 55.3±0.5 10-24cm3
    Surface Tension: 53.6±5.0 dyne/cm
    Molar Volume: 404.8±5.0 cm3

    Click to predict properties on the Chemicalize site


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