ChemSpider 2D Image | Elagolix | C32H30F5N3O5

Elagolix

  • Molecular FormulaC32H30F5N3O5
  • Average mass631.590 Da
  • Monoisotopic mass631.210571 Da
  • ChemSpider ID9425680

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Featured data source
The Merck Index Online

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

4-({(1R)-2-[5-(2-Fluor-3-methoxyphenyl)-3-[2-fluor-6-(trifluormethyl)benzyl]-4-methyl-2,6-dioxo-3,6-dihydro-1(2H)-pyrimidinyl]-1-phenylethyl}amino)butansäure [German] [ACD/IUPAC Name]
4-({(1R)-2-[5-(2-Fluoro-3-methoxyphenyl)-3-[2-fluoro-6-(trifluoromethyl)benzyl]-4-methyl-2,6-dioxo-3,6-dihydro-1(2H)-pyrimidinyl]-1-phenylethyl}amino)butanoic acid [ACD/IUPAC Name]
5B2546MB5Z
834153-87-6 [RN]
Acide 4-({(1R)-2-[5-(2-fluoro-3-méthoxyphényl)-3-[2-fluoro-6-(trifluorométhyl)benzyl]-4-méthyl-2,6-dioxo-3,6-dihydro-1(2H)-pyrimidinyl]-1-phényléthyl}amino)butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[(1R)-2-[5-(2-fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-4-methyl-2,6-dioxo-1(2H)-pyrimidinyl]-1-phenylethyl]amino]- [ACD/Index Name]
elagolix [Spanish] [INN]
Elagolix [INN] [USAN]
élagolix [French] [INN]
elagolixum [Latin] [INN]
More...

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

8983 [DBID]
NBI-56418 [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: 728.6±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 111.7±3.0 kJ/mol
    Flash Point: 394.5±35.7 °C
    Index of Refraction: 1.567
    Molar Refractivity: 152.9±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 13
    #Rule of 5 Violations: 2
    ACD/LogP: 7.20
    ACD/LogD (pH 5.5): 3.30
    ACD/BCF (pH 5.5): 48.22
    ACD/KOC (pH 5.5): 109.23
    ACD/LogD (pH 7.4): 3.29
    ACD/BCF (pH 7.4): 46.58
    ACD/KOC (pH 7.4): 105.52
    Polar Surface Area: 99 Å2
    Polarizability: 60.6±0.5 10-24cm3
    Surface Tension: 47.7±3.0 dyne/cm
    Molar Volume: 467.8±3.0 cm3

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