ChemSpider 2D Image | 5-[2-Cyclopropyl-1-(4-fluorophenyl)-2-oxoethyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl acetate | C20H20FNO3S

5-[2-Cyclopropyl-1-(4-fluorophenyl)-2-oxoethyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl acetate

  • Molecular FormulaC20H20FNO3S
  • Average mass373.441 Da
  • Monoisotopic mass373.114807 Da
  • ChemSpider ID29763385

More details:

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

5-[2-Cyclopropyl-1-(4-fluorophenyl)-2-oxoethyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl acetate [ACD/IUPAC Name]
5-[2-Cyclopropyl-1-(4-fluorphenyl)-2-oxoethyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl-acetat [German] [ACD/IUPAC Name]
Acétate de 5-[2-cyclopropyl-1-(4-fluorophényl)-2-oxoéthyl]-4,5,6,7-tétrahydrothiéno[3,2-c]pyridin-2-yle [French] [ACD/IUPAC Name]
Ethanone, 2-[2-(acetyloxy)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-1-cyclopropyl-2-(4-fluorophenyl)- [ACD/Index Name]
1391194-50-5 [RN]
5-(2-cyclopropyl-1-(4-fluorophenyl) -2-oxoethyl)-4,5,6,7-tetrahydrothieno [3,2-c]pyridin-2-yl acetate
5-(2-Cyclopropyl-1-(4-fluorophenyl)-2-oxoethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl acetate
MFCD26127244

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 497.6±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 76.6±3.0 kJ/mol
    Flash Point: 254.7±28.7 °C
    Index of Refraction: 1.619
    Molar Refractivity: 97.2±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.17
    ACD/LogD (pH 5.5): 3.35
    ACD/BCF (pH 5.5): 206.46
    ACD/KOC (pH 5.5): 1561.17
    ACD/LogD (pH 7.4): 3.37
    ACD/BCF (pH 7.4): 215.07
    ACD/KOC (pH 7.4): 1626.33
    Polar Surface Area: 75 Å2
    Polarizability: 38.5±0.5 10-24cm3
    Surface Tension: 56.8±3.0 dyne/cm
    Molar Volume: 277.1±3.0 cm3

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