ChemSpider 2D Image | MLN7243 | C19H20F3N5O5S2

MLN7243

  • Molecular FormulaC19H20F3N5O5S2
  • Average mass519.518 Da
  • Monoisotopic mass519.085815 Da
  • ChemSpider ID58828173

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

{(1R,2R,3S,4R)-2,3-Dihydroxy-4-[(2-{3-[(trifluormethyl)sulfanyl]phenyl}pyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl}methylsulfamat [German] [ACD/IUPAC Name]
{(1R,2R,3S,4R)-2,3-Dihydroxy-4-[(2-{3-[(trifluoromethyl)sulfanyl]phenyl}pyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl}methyl sulfamate [ACD/IUPAC Name]
1450833-55-2 [RN]
MLN7243
Sulfamate de {(1R,2R,3S,4R)-2,3-dihydroxy-4-[(2-{3-[(trifluorométhyl)sulfanyl]phényl}pyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl}méthyle [French] [ACD/IUPAC Name]
Sulfamic acid, [(1R,2R,3S,4R)-2,3-dihydroxy-4-[[2-[3-[(trifluoromethyl)thio]phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclopentyl]methyl ester [ACD/Index Name]
TAK-243
V9GGV0YCDI
[(1R,2R,3S,4R)-2,3-dihydroxy-4-[(2-{3-[(trifluoromethyl)sulfanyl]phenyl}pyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]methyl sulfamate
BS-15752
More...

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

    Density: 1.8±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.712
    Molar Refractivity: 115.8±0.5 cm3
    #H bond acceptors: 10
    #H bond donors: 5
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 3
    ACD/LogP: 1.49
    ACD/LogD (pH 5.5): 1.29
    ACD/BCF (pH 5.5): 5.61
    ACD/KOC (pH 5.5): 118.65
    ACD/LogD (pH 7.4): 1.30
    ACD/BCF (pH 7.4): 5.69
    ACD/KOC (pH 7.4): 120.41
    Polar Surface Area: 186 Å2
    Polarizability: 45.9±0.5 10-24cm3
    Surface Tension: 67.0±7.0 dyne/cm
    Molar Volume: 295.7±7.0 cm3

    Click to predict properties on the Chemicalize site


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