ChemSpider 2D Image | N-(1',3'-Dimethyl-2',4',6'-trioxo-3-propionyl-1',2,3,3',4,4',4a,6'-octahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-8-yl)benzamide | C27H29N5O5

N-(1',3'-Dimethyl-2',4',6'-trioxo-3-propionyl-1',2,3,3',4,4',4a,6'-octahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-8-yl)benzamide

  • Molecular FormulaC27H29N5O5
  • Average mass503.550 Da
  • Monoisotopic mass503.216858 Da
  • ChemSpider ID4091686

More details:

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

Benzamide, N-[1',2,3,3',4,4',4a,6'-octahydro-1',3'-dimethyl-2',4',6'-trioxo-3-(1-oxopropyl)spiro[1H-pyrazino[1,2-a]quinoline-5(6H),5'(2'H)-pyrimidin]-8-yl]- [ACD/Index Name]
N-(1',3'-Dimethyl-2',4',6'-trioxo-3-propionyl-1',2,3,3',4,4',4a,6'-octahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-8-yl)benzamide [ACD/IUPAC Name]
906261-55-0 [RN]
N-(1',3'-dimethyl-2',4',6'-trioxo-3-propanoyl-1',2,3,3',4,4',4a,6'-octahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-8-yl)benzamide
N-(1,3-dimethyl-2,4,6-trioxo-3'-propanoylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-8'-yl)benzamide

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

    Density: 1.4±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.682
    Molar Refractivity: 134.5±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 2
    ACD/LogP: 0.64
    ACD/LogD (pH 5.5): 1.74
    ACD/BCF (pH 5.5): 12.09
    ACD/KOC (pH 5.5): 201.18
    ACD/LogD (pH 7.4): 1.79
    ACD/BCF (pH 7.4): 13.41
    ACD/KOC (pH 7.4): 223.10
    Polar Surface Area: 110 Å2
    Polarizability: 53.3±0.5 10-24cm3
    Surface Tension: 73.7±5.0 dyne/cm
    Molar Volume: 355.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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