ChemSpider 2D Image | Ethyl [3-(2-methoxyphenyl)-1',3'-dimethyl-2',4',6'-trioxo-1',2,3,3',4,4',4a,6'-octahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-8-yl]carbamate | C27H31N5O6

Ethyl [3-(2-methoxyphenyl)-1',3'-dimethyl-2',4',6'-trioxo-1',2,3,3',4,4',4a,6'-octahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-8-yl]carbamate

  • Molecular FormulaC27H31N5O6
  • Average mass521.565 Da
  • Monoisotopic mass521.227417 Da
  • ChemSpider ID21527701

More details:

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

Carbamic acid, N-[1',2,3,3',4,4',4a,6'-octahydro-3-(2-methoxyphenyl)-1',3'-dimethyl-2',4',6'-trioxospiro[1H-pyrazino[1,2-a]quinoline-5(6H),5'(2'H)-pyrimidin]-8-yl]-, ethyl ester [ACD/Index Name]
Ethyl [3-(2-methoxyphenyl)-1',3'-dimethyl-2',4',6'-trioxo-1',2,3,3',4,4',4a,6'-octahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-8-yl]carbamate [ACD/IUPAC Name]
898923-33-6 [RN]
ethyl N-[3'-(2-methoxyphenyl)-1,3-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-8'-yl]carbamate

    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: 1.669
    Molar Refractivity: 137.9±0.4 cm3
    #H bond acceptors: 11
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 2
    ACD/LogP: 1.98
    ACD/LogD (pH 5.5): 2.09
    ACD/BCF (pH 5.5): 16.87
    ACD/KOC (pH 5.5): 185.42
    ACD/LogD (pH 7.4): 2.61
    ACD/BCF (pH 7.4): 56.01
    ACD/KOC (pH 7.4): 615.58
    Polar Surface Area: 112 Å2
    Polarizability: 54.7±0.5 10-24cm3
    Surface Tension: 71.2±5.0 dyne/cm
    Molar Volume: 369.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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