ChemSpider 2D Image | ELND-006 | C20H14F5N3O2S

ELND-006

  • Molecular FormulaC20H14F5N3O2S
  • Average mass455.401 Da
  • Monoisotopic mass455.072693 Da
  • ChemSpider ID30812282

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4R)-4-Cyclopropyl-7,8-difluor-5-{[4-(trifluormethyl)phenyl]sulfonyl}-4,5-dihydro-2H-pyrazolo[4,3-c]chinolin [German] [ACD/IUPAC Name]
(4R)-4-Cyclopropyl-7,8-difluoro-5-{[4-(trifluorométhyl)phényl]sulfonyl}-4,5-dihydro-2H-pyrazolo[4,3-c]quinoléine [French] [ACD/IUPAC Name]
(4R)-4-Cyclopropyl-7,8-difluoro-5-{[4-(trifluoromethyl)phenyl]sulfonyl}-4,5-dihydro-2H-pyrazolo[4,3-c]quinoline [ACD/IUPAC Name]
2H-Pyrazolo[4,3-c]quinoline, 4-cyclopropyl-7,8-difluoro-4,5-dihydro-5-[[4-(trifluoromethyl)phenyl]sulfonyl]-, (4R)- [ACD/Index Name]
7F5QGV49GL
959997-22-9 [RN]
ELND-006
(4R)-4-cyclopropyl-7,8-difluoro-5-[4-(trifluoromethyl)benzenesulfonyl]-1H,4H,5H-pyrazolo[4,3-c]quinoline
(4R)‐4‐cyclopropyl‐7,8‐difluoro‐5‐[4‐(trifluoromethyl)benzenesulfonyl]‐1H,4H,5H‐pyrazolo[4,3‐c]quinoline
(4R)-4-cyclopropyl-7,8-difluoro-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,3-c]quinoline
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.6±0.1 g/cm3
    Boiling Point: 629.6±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 93.1±3.0 kJ/mol
    Flash Point: 334.6±34.3 °C
    Index of Refraction: 1.621
    Molar Refractivity: 100.2±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.72
    ACD/LogD (pH 5.5): 4.05
    ACD/BCF (pH 5.5): 699.03
    ACD/KOC (pH 5.5): 3781.71
    ACD/LogD (pH 7.4): 4.05
    ACD/BCF (pH 7.4): 699.02
    ACD/KOC (pH 7.4): 3781.66
    Polar Surface Area: 74 Å2
    Polarizability: 39.7±0.5 10-24cm3
    Surface Tension: 57.6±3.0 dyne/cm
    Molar Volume: 284.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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