ChemSpider 2D Image | 3-Ethyl-8-nitro-1'-[3-(trifluoromethyl)phenyl]-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione | C24H22F3N5O5

3-Ethyl-8-nitro-1'-[3-(trifluoromethyl)phenyl]-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione

  • Molecular FormulaC24H22F3N5O5
  • Average mass517.457 Da
  • Monoisotopic mass517.157288 Da
  • ChemSpider ID21349488

More details:

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

3-Ethyl-8-nitro-1'-[3-(trifluoromethyl)phenyl]-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione [ACD/IUPAC Name]
Spiro[1H-pyrazino[1,2-a]quinoline-5(6H),5'(2'H)-pyrimidine]-2',4',6'(1'H,3'H)-trione, 3-ethyl-2,3,4,4a-tetrahydro-8-nitro-1'-[3-(trifluoromethyl)phenyl]- [ACD/Index Name]
3'-ethyl-8'-nitro-1-[3-(trifluoromethyl)phenyl]spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione
879565-47-6 [RN]
AGN-PC-01KC89
AKOS005519764
MCULE-3775285590
MolPort-000-815-747
MolPort-002-659-369
STK598371
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.6±0.1 g/cm3
    Boiling Point: 679.7±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 104.8±3.0 kJ/mol
    Flash Point: 364.9±34.3 °C
    Index of Refraction: 1.679
    Molar Refractivity: 124.0±0.5 cm3
    #H bond acceptors: 10
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 2
    ACD/LogP: 4.05
    ACD/LogD (pH 5.5): 1.09
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 6.86
    ACD/LogD (pH 7.4): 0.49
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.73
    Polar Surface Area: 122 Å2
    Polarizability: 49.2±0.5 10-24cm3
    Surface Tension: 59.9±7.0 dyne/cm
    Molar Volume: 328.6±7.0 cm3

    Click to predict properties on the Chemicalize site


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