ChemSpider 2D Image | Fevipiprant | C19H17F3N2O4S

Fevipiprant

  • Molecular FormulaC19H17F3N2O4S
  • Average mass426.409 Da
  • Monoisotopic mass426.086121 Da
  • ChemSpider ID32701918

More details:

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

{2-Methyl-1-[4-(methylsulfonyl)-2-(trifluormethyl)benzyl]-1H-pyrrolo[2,3-b]pyridin-3-yl}essigsäure [German] [ACD/IUPAC Name]
{2-Methyl-1-[4-(methylsulfonyl)-2-(trifluoromethyl)benzyl]-1H-pyrrolo[2,3-b]pyridin-3-yl}acetic acid [ACD/IUPAC Name]
1H-Pyrrolo[2,3-b]pyridine-3-acetic acid, 2-methyl-1-[[4-(methylsulfonyl)-2-(trifluoromethyl)phenyl]methyl]- [ACD/Index Name]
2-(2-methyl-1-{[4-(methylsulfonyl)-2-(trifluoromethyl)phenyl]methyl}-1H-pyrrolo[2,3-b]pyridine-3-yl)acetic acid
2-Methyl-1-[[4-(methylsulfonyl)-2-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine-3-acetic acid
2PEX5N7DQ4
872365-14-5 [RN]
Acide {2-méthyl-1-[4-(méthylsulfonyl)-2-(trifluorométhyl)benzyl]-1H-pyrrolo[2,3-b]pyridin-3-yl}acétique [French] [ACD/IUPAC Name]
fevipiprant [Spanish] [INN]
Fevipiprant [INN] [USAN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

9682 [DBID]
QAW039 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 637.6±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 99.0±3.0 kJ/mol
    Flash Point: 339.4±31.5 °C
    Index of Refraction: 1.597
    Molar Refractivity: 100.7±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 2.85
    ACD/LogD (pH 5.5): 1.24
    ACD/BCF (pH 5.5): 1.83
    ACD/KOC (pH 5.5): 15.93
    ACD/LogD (pH 7.4): -0.13
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 98 Å2
    Polarizability: 39.9±0.5 10-24cm3
    Surface Tension: 46.2±7.0 dyne/cm
    Molar Volume: 295.4±7.0 cm3

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