ChemSpider 2D Image | Methyl 4-({[2'-(2-methoxyethyl)-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinolin]-4'-yl]carbonyl}amino)butanoate | C23H32N2O5

Methyl 4-({[2'-(2-methoxyethyl)-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinolin]-4'-yl]carbonyl}amino)butanoate

  • Molecular FormulaC23H32N2O5
  • Average mass416.511 Da
  • Monoisotopic mass416.231110 Da
  • ChemSpider ID22488293

More details:

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

4-({[2'-(2-Méthoxyéthyl)-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinolin]-4'-yl]carbonyl}amino)butanoate de méthyle [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[[1',4'-dihydro-2'-(2-methoxyethyl)-1'-oxospiro[cyclohexane-1,3'(2'H)-isoquinolin]-4'-yl]carbonyl]amino]-, methyl ester [ACD/Index Name]
Methyl 4-({[2'-(2-methoxyethyl)-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinolin]-4'-yl]carbonyl}amino)butanoate [ACD/IUPAC Name]
Methyl-4-({[2'-(2-methoxyethyl)-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinolin]-4'-yl]carbonyl}amino)butanoat [German] [ACD/IUPAC Name]
1212464-75-9 [RN]
methyl 4-[[2-(2-methoxyethyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclohexane]-4-carbonyl]amino]butanoate

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 629.2±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 93.1±3.0 kJ/mol
    Flash Point: 334.3±31.5 °C
    Index of Refraction: 1.562
    Molar Refractivity: 112.7±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 0
    ACD/LogP: 1.57
    ACD/LogD (pH 5.5): 2.74
    ACD/BCF (pH 5.5): 70.75
    ACD/KOC (pH 5.5): 733.88
    ACD/LogD (pH 7.4): 2.74
    ACD/BCF (pH 7.4): 70.75
    ACD/KOC (pH 7.4): 733.88
    Polar Surface Area: 85 Å2
    Polarizability: 44.7±0.5 10-24cm3
    Surface Tension: 51.0±5.0 dyne/cm
    Molar Volume: 347.6±5.0 cm3

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