Found 534 results

Search term: MF = 'C_{23}H_{27}FN_{2}O_{3}S'
ChemSpider 2D Image | (4aR,7aS)-4-[2-(2-Fluorophenyl)ethyl]-1-(4-isopropylphenyl)hexahydrothieno[3,4-b]pyrazin-2(1H)-one 6,6-dioxide | C23H27FN2O3S

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

  • Molecular FormulaC23H27FN2O3S
  • Average mass430.535 Da
  • Monoisotopic mass430.172638 Da
  • ChemSpider ID22885478

  • 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 4-[2-(2-fluorophényl)éthyl]-1-(4-isopropylphényl)hexahydrothiéno[3,4-b]pyrazin-2(1H)-one [French] [ACD/IUPAC Name]
(4aR,7aS)-4-[2-(2-Fluorophenyl)ethyl]-1-(4-isopropylphenyl)hexahydrothieno[3,4-b]pyrazin-2(1H)-one 6,6-dioxide [ACD/IUPAC Name]
(4aR,7aS)-4-[2-(2-Fluorphenyl)ethyl]-1-(4-isopropylphenyl)hexahydrothieno[3,4-b]pyrazin-2(1H)-on-6,6-dioxid [German] [ACD/IUPAC Name]
Thieno[3,4-b]pyrazin-2(1H)-one, 4-[2-(2-fluorophenyl)ethyl]hexahydro-1-[4-(1-methylethyl)phenyl]-, 6,6-dioxide, (4aR,7aS)- [ACD/Index Name]
(3aS,7aR)-7-[2-(2-fluorophenyl)ethyl]-2-hydroxy-4-[4-(methylethyl)phenyl]-3,4,6,7,3a,7a-hexahydro-2-thia-4,7-diazaindene-2,5-dione
(4aR,7aS)-4-[2-(2-fluorophenyl)ethyl]-1-[4-(propan-2-yl)phenyl]hexahydrothieno[3,4-b]pyrazin-2(1H)-one 6,6-dioxide
(4aS,7aR)-1-[2-(2-fluorophenyl)ethyl]-6,6-dioxo-4-(4-propan-2-ylphenyl)-4a,5,7,7a-tetrahydro-2H-thieno[3,4-b]pyrazin-3-one
1212448-05-9 [RN]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 666.2±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 97.9±3.0 kJ/mol
    Flash Point: 356.7±31.5 °C
    Index of Refraction: 1.586
    Molar Refractivity: 115.1±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 4.01
    ACD/LogD (pH 5.5): 3.23
    ACD/BCF (pH 5.5): 166.04
    ACD/KOC (pH 5.5): 1346.51
    ACD/LogD (pH 7.4): 3.23
    ACD/BCF (pH 7.4): 168.21
    ACD/KOC (pH 7.4): 1364.11
    Polar Surface Area: 66 Å2
    Polarizability: 45.6±0.5 10-24cm3
    Surface Tension: 46.8±3.0 dyne/cm
    Molar Volume: 342.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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