ChemSpider 2D Image | 2-Amino-1-(4-fluorophenyl)-1'-methyl-2',5-dioxo-1',2',5,7-tetrahydro-1H-spiro[furo[3,4-b]pyridine-4,3'-indole]-3-carbonitrile | C22H15FN4O3

2-Amino-1-(4-fluorophenyl)-1'-methyl-2',5-dioxo-1',2',5,7-tetrahydro-1H-spiro[furo[3,4-b]pyridine-4,3'-indole]-3-carbonitrile

  • Molecular FormulaC22H15FN4O3
  • Average mass402.378 Da
  • Monoisotopic mass402.112823 Da
  • ChemSpider ID22487970

More details:

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

2-Amino-1-(4-fluorophenyl)-1'-methyl-2',5-dioxo-1',2',5,7-tetrahydro-1H-spiro[furo[3,4-b]pyridine-4,3'-indole]-3-carbonitrile [ACD/IUPAC Name]
Spiro[furo[3,4-b]pyridine-4(1H),3'-[3H]indole]-3-carbonitrile, 2-amino-1-(4-fluorophenyl)-1',2',5,7-tetrahydro-1'-methyl-2',5-dioxo- [ACD/Index Name]
1081136-94-8 [RN]
2-amino-1-(4-fluorophenyl)-1'-methyl-2',5-dioxospiro[7H-furo[3,4-b]pyridine-4,3'-indole]-3-carbonitrile

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 795.0±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.8 mmHg at 25°C
    Enthalpy of Vaporization: 115.6±3.0 kJ/mol
    Flash Point: 434.6±32.9 °C
    Index of Refraction: 1.741
    Molar Refractivity: 104.0±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.20
    ACD/LogD (pH 5.5): 2.55
    ACD/BCF (pH 5.5): 50.84
    ACD/KOC (pH 5.5): 578.91
    ACD/LogD (pH 7.4): 2.55
    ACD/BCF (pH 7.4): 50.96
    ACD/KOC (pH 7.4): 580.25
    Polar Surface Area: 100 Å2
    Polarizability: 41.2±0.5 10-24cm3
    Surface Tension: 81.8±5.0 dyne/cm
    Molar Volume: 257.4±5.0 cm3

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