ChemSpider 2D Image | 3-Methyl-1',3'-bis(4-methylphenyl)-8-nitro-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione | C31H30N4O5

3-Methyl-1',3'-bis(4-methylphenyl)-8-nitro-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione

  • Molecular FormulaC31H30N4O5
  • Average mass538.594 Da
  • Monoisotopic mass538.221619 Da
  • ChemSpider ID4075521

More details:

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

3-Methyl-1',3'-bis(4-methylphenyl)-8-nitro-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione [ACD/IUPAC Name]
Spiro[1H-benzo[c]quinolizine-5(6H),5'(2'H)-pyrimidine]-2',4',6'(1'H,3'H)-trione, 2,3,4,4a-tetrahydro-3-methyl-1',3'-bis(4-methylphenyl)-8-nitro- [ACD/Index Name]
3-methyl-1',3'-bis(4-methylphenyl)-8-nitrospiro[1,2,3,4,4a,6-hexahydrobenzo[c]quinolizine-5,5'-1,3-diazinane]-2',4',6'-trione
879457-25-7 [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: 719.2±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 105.1±3.0 kJ/mol
    Flash Point: 388.8±35.7 °C
    Index of Refraction: 1.697
    Molar Refractivity: 148.2±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 2
    ACD/LogP: 6.44
    ACD/LogD (pH 5.5): 6.26
    ACD/BCF (pH 5.5): 33945.91
    ACD/KOC (pH 5.5): 60914.60
    ACD/LogD (pH 7.4): 6.26
    ACD/BCF (pH 7.4): 33946.02
    ACD/KOC (pH 7.4): 60914.80
    Polar Surface Area: 107 Å2
    Polarizability: 58.8±0.5 10-24cm3
    Surface Tension: 72.2±5.0 dyne/cm
    Molar Volume: 384.9±5.0 cm3

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