ChemSpider 2D Image | (4aR,7aS)-1-(4-Chlorophenyl)-4-(2-fluorobenzyl)hexahydrothieno[3,4-b]pyrazin-2(1H)-one 6,6-dioxide | C19H18ClFN2O3S

(4aR,7aS)-1-(4-Chlorophenyl)-4-(2-fluorobenzyl)hexahydrothieno[3,4-b]pyrazin-2(1H)-one 6,6-dioxide

  • Molecular FormulaC19H18ClFN2O3S
  • Average mass408.874 Da
  • Monoisotopic mass408.071075 Da
  • ChemSpider ID22885724

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4aR,7aS) 6,6-Dioxyde de 1-(4-chlorophényl)-4-(2-fluorobenzyl)hexahydrothiéno[3,4-b]pyrazin-2(1H)-one [French] [ACD/IUPAC Name]
(4aR,7aS)-1-(4-Chlorophenyl)-4-(2-fluorobenzyl)hexahydrothieno[3,4-b]pyrazin-2(1H)-one 6,6-dioxide [ACD/IUPAC Name]
(4aR,7aS)-1-(4-Chlorphenyl)-4-(2-fluorbenzyl)hexahydrothieno[3,4-b]pyrazin-2(1H)-on-6,6-dioxid [German] [ACD/IUPAC Name]
Thieno[3,4-b]pyrazin-2(1H)-one, 1-(4-chlorophenyl)-4-[(2-fluorophenyl)methyl]hexahydro-, 6,6-dioxide, (4aR,7aS)- [ACD/Index Name]
(3aS,7aR)-4-(4-chlorophenyl)-7-[(2-fluorophenyl)methyl]-2-hydroxy-3,4,6,7,3a,7a-hexahydro-2-thia-4,7-diazaindene-2,5-dione
(4aS,7aR)-4-(4-chlorophenyl)-1-[(2-fluorophenyl)methyl]-6,6-dioxo-4a,5,7,7a-tetrahydro-2H-thieno[3,4-b]pyrazin-3-one
1212483-40-3 [RN]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 671.4±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 98.6±3.0 kJ/mol
    Flash Point: 359.9±31.5 °C
    Index of Refraction: 1.631
    Molar Refractivity: 101.4±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.91
    ACD/LogD (pH 5.5): 2.46
    ACD/BCF (pH 5.5): 43.94
    ACD/KOC (pH 5.5): 521.12
    ACD/LogD (pH 7.4): 2.47
    ACD/BCF (pH 7.4): 44.17
    ACD/KOC (pH 7.4): 523.79
    Polar Surface Area: 66 Å2
    Polarizability: 40.2±0.5 10-24cm3
    Surface Tension: 55.6±3.0 dyne/cm
    Molar Volume: 284.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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