ChemSpider 2D Image | Bicalutamide sulfoxide | C18H14F4N2O3S

Bicalutamide sulfoxide

  • Molecular FormulaC18H14F4N2O3S
  • Average mass414.374 Da
  • Monoisotopic mass414.066132 Da
  • ChemSpider ID27524637

More details:

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

945419-64-7 [RN]
Bicalutamide sulfoxide
N-(4-CYANO-3-(TRIFLUOROMETHYL)PHENYL)-3-((4-FLUOROPHENYL)SULFINYL)-2α-HYDROXY-2-METHYLPROPANAMIDE
N-(4-CYANO-3-(TRIFLUOROMETHYL)PHENYL)-3-((4-FLUOROPHENYL)SULFINYL)-2β-HYDROXY-2-METHYLPROPANAMIDE
N-[4-Cyan-3-(trifluormethyl)phenyl]-3-[(4-fluorphenyl)sulfinyl]-2-hydroxy-2-methylpropanamid [German] [ACD/IUPAC Name]
N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfinyl]-2-hydroxy-2-methylpropanamide [ACD/IUPAC Name]
N-[4-Cyano-3-(trifluorométhyl)phényl]-3-[(4-fluorophényl)sulfinyl]-2-hydroxy-2-méthylpropanamide [French] [ACD/IUPAC Name]
Propanamide, N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfinyl]-2-hydroxy-2-methyl- [ACD/Index Name]
4-Amide-3-trifluoromethyl-N-(3-p-fluorophenylsulfinyl-(R,S)-2-hydroxy-2-methylpropionyl)aniline
99L1V4957O
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 630.2±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 98.0±3.0 kJ/mol
    Flash Point: 335.0±31.5 °C
    Index of Refraction: 1.602
    Molar Refractivity: 93.8±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 4.57
    ACD/LogD (pH 5.5): 3.04
    ACD/BCF (pH 5.5): 119.41
    ACD/KOC (pH 5.5): 1067.46
    ACD/LogD (pH 7.4): 3.04
    ACD/BCF (pH 7.4): 119.40
    ACD/KOC (pH 7.4): 1067.39
    Polar Surface Area: 109 Å2
    Polarizability: 37.2±0.5 10-24cm3
    Surface Tension: 64.1±5.0 dyne/cm
    Molar Volume: 273.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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