ChemSpider 2D Image | Sarolaner | C23H18Cl2F4N2O5S

Sarolaner

  • Molecular FormulaC23H18Cl2F4N2O5S
  • Average mass581.364 Da
  • Monoisotopic mass580.024963 Da
  • ChemSpider ID31458198
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

1-{5'-[(5S)-5-(3,5-Dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]-1H,3'H-spiro[azetidine-3,1'-[2]benzofuran]-1-yl}-2-(methylsulfonyl)ethanone [ACD/IUPAC Name]
1-{5'-[(5S)-5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]-3'H-spiro[azetidine-3,1'-[2]benzofuran]-1-yl}-2-methanesulfonylethan-1-one
1-{5'-[(5S)-5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl]-3'-H-spiro[azetidine-3,1'-[2]benzofuran]-1-yl}-2-(methylsulfonyl)ethanone
1398609-39-6 [RN]
DM113FTW7F
Ethanone, 1-[5'-[(5S)-5-(3,5-dichloro-4-fluorophenyl)-4,5-dihydro-5-(trifluoromethyl)-3-isoxazolyl]spiro[azetidine-3,1'(3'H)-isobenzofuran]-1-yl]-2-(methylsulfonyl)- [ACD/Index Name]
PF-6450567
sarolaner [Spanish] [INN]
sarolaner [French] [INN]
More...

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

9923 [DBID]

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 722.7±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 105.6±3.0 kJ/mol
    Flash Point: 390.9±35.7 °C
    Index of Refraction: 1.638
    Molar Refractivity: 126.3±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: 4.86
    ACD/LogD (pH 5.5): 4.84
    ACD/BCF (pH 5.5): 2786.70
    ACD/KOC (pH 5.5): 10176.32
    ACD/LogD (pH 7.4): 4.84
    ACD/BCF (pH 7.4): 2786.70
    ACD/KOC (pH 7.4): 10176.32
    Polar Surface Area: 94 Å2
    Polarizability: 50.1±0.5 10-24cm3
    Surface Tension: 52.0±7.0 dyne/cm
    Molar Volume: 351.2±7.0 cm3

    Click to predict properties on the Chemicalize site






    Advertisement