ChemSpider 2D Image | (4aR,7aS)-1-(2-Pyrimidinyl)octahydrothieno[3,4-b]pyrazine 6,6-dioxide | C10H14N4O2S

(4aR,7aS)-1-(2-Pyrimidinyl)octahydrothieno[3,4-b]pyrazine 6,6-dioxide

  • Molecular FormulaC10H14N4O2S
  • Average mass254.309 Da
  • Monoisotopic mass254.083740 Da
  • ChemSpider ID45382965

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4aR,7aS)-1-(2-Pyrimidinyl)octahydrothieno[3,4-b]pyrazin-6,6-dioxid [German] [ACD/IUPAC Name]
(4aR,7aS)-1-(2-Pyrimidinyl)octahydrothieno[3,4-b]pyrazine 6,6-dioxide [ACD/IUPAC Name]
6,6-Dioxyde de (4aR,7aS)-1-(2-pyrimidinyl)octahydrothiéno[3,4-b]pyrazine [French] [ACD/IUPAC Name]
Thieno[3,4-b]pyrazine, octahydro-1-(2-pyrimidinyl)-, 6,6-dioxide, (4aR,7aS)- [ACD/Index Name]
(4aR,7aS)-1-pyrimidin-2-yloctahydrothieno[3,4-b]pyrazine 6,6-dioxide
2173052-99-6 [RN]
MFCD29762543

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 552.3±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 83.3±3.0 kJ/mol
    Flash Point: 287.8±32.9 °C
    Index of Refraction: 1.589
    Molar Refractivity: 62.4±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: -0.15
    ACD/LogD (pH 5.5): -0.36
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 10.59
    ACD/LogD (pH 7.4): -0.02
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 23.17
    Polar Surface Area: 84 Å2
    Polarizability: 24.7±0.5 10-24cm3
    Surface Tension: 56.1±3.0 dyne/cm
    Molar Volume: 185.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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