ChemSpider 2D Image | 3-(1,3-Benzodioxol-5-ylmethyl)-1'-(4-fluorophenyl)-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 | C29H25FN4O5

3-(1,3-Benzodioxol-5-ylmethyl)-1'-(4-fluorophenyl)-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 FormulaC29H25FN4O5
  • Average mass528.531 Da
  • Monoisotopic mass528.180908 Da
  • ChemSpider ID4081086

More details:

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

3-(1,3-Benzodioxol-5-ylmethyl)-1'-(4-fluorophenyl)-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'(3'H)-dione, 3-(1,3-benzodioxol-5-ylmethyl)-3'-(4-fluorophenyl)-2,3,4,4a-tetrahydro-6'-hydroxy-
Spiro[1H-pyrazino[1,2-a]quinoline-5(6H),5'(2'H)-pyrimidine]-2',4',6'(1'H,3'H)-trione, 3-(1,3-benzodioxol-5-ylmethyl)-1'-(4-fluorophenyl)-2,3,4,4a-tetrahydro- [ACD/Index Name]
3'-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione
3-(1,3-benzodioxol-5-ylmethyl)-3'-(4-fluorophenyl)-6'-hydroxy-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4'(3'H)-dione
879442-85-0 [RN]
AC1NL2DP
AGN-PC-0LJ1UV
AKOS005519020
MCULE-2477786175
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.730
    Molar Refractivity: 138.2±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 1
    ACD/LogP: 3.89
    ACD/LogD (pH 5.5): 3.08
    ACD/BCF (pH 5.5): 90.17
    ACD/KOC (pH 5.5): 574.78
    ACD/LogD (pH 7.4): 3.64
    ACD/BCF (pH 7.4): 332.09
    ACD/KOC (pH 7.4): 2116.95
    Polar Surface Area: 91 Å2
    Polarizability: 54.8±0.5 10-24cm3
    Surface Tension: 79.5±5.0 dyne/cm
    Molar Volume: 346.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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