ChemSpider 2D Image | LSM-5782 | C32H31F2N3O2

LSM-5782

  • Molecular FormulaC32H31F2N3O2
  • Average mass527.604 Da
  • Monoisotopic mass527.238464 Da
  • ChemSpider ID2300667

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(2R)-1-(5-Chinolinyloxy)-3-{4-[(1aR,10bS)-1,1-difluor-1,1a,6,10b-tetrahydrodibenzo[a,e]cyclopropa[c][7]annulen-6-yl]-1-piperazinyl}-2-propanol [German] [ACD/IUPAC Name]
(2R)-1-{4-[(1aR,10bS)-1,1-Difluoro-1,1a,6,10b-tétrahydrodibenzo[a,e]cyclopropa[c][7]annulén-6-yl]-1-pipérazinyl}-3-(5-quinoléinyloxy)-2-propanol [French] [ACD/IUPAC Name]
(2R)-1-{4-[(1aR,10bS)-1,1-Difluoro-1,1a,6,10b-tetrahydrodibenzo[a,e]cyclopropa[c][7]annulen-6-yl]-1-piperazinyl}-3-(5-quinolinyloxy)-2-propanol [ACD/IUPAC Name]
1-Piperazineethanol, 4-[(1aR,10bS)-1,1-difluoro-1,1a,6,10b-tetrahydrodibenzo[a,e]cyclopropa[c]cyclohepten-6-yl]-α-[(5-quinolinyloxy)methyl]-, (αR)- [ACD/Index Name]
LSM-5782
(2R)-1-{4-[(1aR,6R,10bS)-1,1-Difluoro-1,1a,6,10b-tetrahydrodibenzo[a,e]cyclopropa[c]cyclohepten-6-yl]piperazin-1-yl}-3-(quinolin-5-y loxy)propan-2-ol
167354-41-8 [RN]
MFCD09837761
Zosuquidar [Wiki]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 690.5±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 106.3±3.0 kJ/mol
    Flash Point: 371.4±31.5 °C
    Index of Refraction: 1.691
    Molar Refractivity: 147.5±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 1
    ACD/LogP: 4.30
    ACD/LogD (pH 5.5): 2.91
    ACD/BCF (pH 5.5): 36.50
    ACD/KOC (pH 5.5): 145.84
    ACD/LogD (pH 7.4): 4.44
    ACD/BCF (pH 7.4): 1249.33
    ACD/KOC (pH 7.4): 4991.95
    Polar Surface Area: 49 Å2
    Polarizability: 58.5±0.5 10-24cm3
    Surface Tension: 65.6±5.0 dyne/cm
    Molar Volume: 385.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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