ChemSpider 2D Image | 1-Fluoro-1',3'-dimethyl-6a,7,8,9,10,11-hexahydro-2'H,5H-spiro[azepino[1,2-a]quinoline-6,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione | C19H22FN3O3

1-Fluoro-1',3'-dimethyl-6a,7,8,9,10,11-hexahydro-2'H,5H-spiro[azepino[1,2-a]quinoline-6,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione

  • Molecular FormulaC19H22FN3O3
  • Average mass359.395 Da
  • Monoisotopic mass359.164520 Da
  • ChemSpider ID21527620

More details:

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

1-Fluoro-1',3'-dimethyl-6a,7,8,9,10,11-hexahydro-2'H,5H-spiro[azepino[1,2-a]quinoline-6,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione [ACD/IUPAC Name]
Spiro[azepino[1,2-a]quinoline-6(5H),5'(2'H)-pyrimidine]-2',4',6'(1'H,3'H)-trione, 1-fluoro-6a,7,8,9,10,11-hexahydro-1',3'-dimethyl- [ACD/Index Name]
1'-fluoro-1,3-dimethylspiro[1,3-diazinane-5,6'-6a,7,8,9,10,11-hexahydro-5H-azepino[1,2-a]quinoline]-2,4,6-trione
898920-71-3 [RN]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 501.1±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 77.0±3.0 kJ/mol
    Flash Point: 256.9±32.9 °C
    Index of Refraction: 1.628
    Molar Refractivity: 92.9±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 2.00
    ACD/LogD (pH 5.5): 2.82
    ACD/BCF (pH 5.5): 81.42
    ACD/KOC (pH 5.5): 809.62
    ACD/LogD (pH 7.4): 2.82
    ACD/BCF (pH 7.4): 82.10
    ACD/KOC (pH 7.4): 816.37
    Polar Surface Area: 61 Å2
    Polarizability: 36.8±0.5 10-24cm3
    Surface Tension: 60.6±5.0 dyne/cm
    Molar Volume: 261.8±5.0 cm3

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