ChemSpider 2D Image | 4-Amino-5'-fluoro-2'-oxo-1',2',6,7-tetrahydrospiro[1,3-dioxolo[4,5-g]pyrido[2,1-a]isoquinoline-2,3'-indole]-3-carbonitrile | C22H15FN4O3

4-Amino-5'-fluoro-2'-oxo-1',2',6,7-tetrahydrospiro[1,3-dioxolo[4,5-g]pyrido[2,1-a]isoquinoline-2,3'-indole]-3-carbonitrile

  • Molecular FormulaC22H15FN4O3
  • Average mass402.378 Da
  • Monoisotopic mass402.112823 Da
  • ChemSpider ID21527334

More details:

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

4-Amino-5'-fluoro-2'-oxo-1',2',6,7-tetrahydrospiro[1,3-dioxolo[4,5-g]pyrido[2,1-a]isoquinoline-2,3'-indole]-3-carbonitrile [ACD/IUPAC Name]
Spiro[2H--1,3benzodioxolo[5,6-a]quinolizine-2,3'-[3H]indole]-3-carbonitrile, 4-amino-5'-fluoro-1',2',6,7-tetrahydro-2'-oxo- [ACD/Index Name]
4'-amino-5-fluoro-2-oxospiro[1H-indole-3,2'-6,7-dihydro-[1,3]benzodioxolo[6,5-a]quinolizine]-3'-carbonitrile
898916-32-0 [RN]

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 778.5±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.7 mmHg at 25°C
    Enthalpy of Vaporization: 113.3±3.0 kJ/mol
    Flash Point: 424.6±32.9 °C
    Index of Refraction: 1.776
    Molar Refractivity: 103.5±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 3
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 4.06
    ACD/LogD (pH 5.5): 3.75
    ACD/BCF (pH 5.5): 416.18
    ACD/KOC (pH 5.5): 2589.95
    ACD/LogD (pH 7.4): 3.76
    ACD/BCF (pH 7.4): 424.45
    ACD/KOC (pH 7.4): 2641.42
    Polar Surface Area: 101 Å2
    Polarizability: 41.0±0.5 10-24cm3
    Surface Tension: 88.6±5.0 dyne/cm
    Molar Volume: 247.8±5.0 cm3

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