ChemSpider 2D Image | aticaprant | C26H27FN2O2

aticaprant

  • Molecular FormulaC26H27FN2O2
  • Average mass418.503 Da
  • Monoisotopic mass418.205658 Da
  • ChemSpider ID28424203

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(S)-4-(4-((2-(3,5-diMethylphenyl)pyrrolidin-1-yl)Methyl)phenoxy)-3-fluorobenzaMide
1174130-61-0 [RN]
4-(4-{[(2S)-2-(3,5-Dimethylphenyl)-1-pyrrolidinyl]methyl}phenoxy)-3-fluorbenzamid [German] [ACD/IUPAC Name]
4-(4-{[(2S)-2-(3,5-Dimethylphenyl)-1-pyrrolidinyl]methyl}phenoxy)-3-fluorobenzamide [ACD/IUPAC Name]
4-(4-{[(2S)-2-(3,5-Diméthylphényl)-1-pyrrolidinyl]méthyl}phénoxy)-3-fluorobenzamide [French] [ACD/IUPAC Name]
4-(4-{[(2S)-2-(3,5-dimethylphenyl)pyrrolidin-1-yl]methyl}phenoxy)-3-fluorobenzamide
4-[4-[[(2S)-2-(3,5-Dimethylphenyl)-1-pyrrolidinyl]methyl]phenoxy]-3-fluorobenzamide
aticaprant [INN]
aticaprant [French] [INN]
aticaprant [Spanish] [INN]
More...

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

DE4G8X55F5 [DBID]
LY2456302 [DBID]
UNII-DE4G8X55F5 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 519.2±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 79.2±3.0 kJ/mol
    Flash Point: 267.8±30.1 °C
    Index of Refraction: 1.609
    Molar Refractivity: 120.6±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 1
    ACD/LogP: 5.44
    ACD/LogD (pH 5.5): 1.98
    ACD/BCF (pH 5.5): 3.62
    ACD/KOC (pH 5.5): 12.35
    ACD/LogD (pH 7.4): 3.24
    ACD/BCF (pH 7.4): 66.13
    ACD/KOC (pH 7.4): 225.69
    Polar Surface Area: 56 Å2
    Polarizability: 47.8±0.5 10-24cm3
    Surface Tension: 49.1±3.0 dyne/cm
    Molar Volume: 348.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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