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Search term: HLWURFKMDLAKOD (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Gefapixant | C14H19N5O4S

Gefapixant

  • Molecular FormulaC14H19N5O4S
  • Average mass353.397 Da
  • Monoisotopic mass353.115784 Da
  • ChemSpider ID58828660

More details:

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

1015787-98-0 [RN]
5-[(2,4-Diamino-5-pyrimidinyl)oxy]-4-isopropyl-2-methoxybenzenesulfonamide [ACD/IUPAC Name]
5-[(2,4-Diamino-5-pyrimidinyl)oxy]-4-isopropyl-2-méthoxybenzènesulfonamide [French] [ACD/IUPAC Name]
5-[(2,4-Diamino-5-pyrimidinyl)oxy]-4-isopropyl-2-methoxybenzolsulfonamid [German] [ACD/IUPAC Name]
5-[(2,4-diaminopyrimidin-5-yl)oxy]-2-methoxy-4-(propan-2-yl)benzene-1-sulfonamide
5-[(2,4-diaminopyrimidin-5-yl)oxy]-4-isopropyl-2-methoxybenzenesulfonamide
AF-219
Benzenesulfonamide, 5-[(2,4-diamino-5-pyrimidinyl)oxy]-2-methoxy-4-(1-methylethyl)- [ACD/Index Name]
gefapixant [Spanish] [INN]
Gefapixant [INN] [USAN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

10642 [DBID]
6K6L7E3F1L [DBID]
RO4926219 [DBID]
UNII:6K6L7E3F1L [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: 606.3±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 90.1±3.0 kJ/mol
    Flash Point: 320.5±34.3 °C
    Index of Refraction: 1.615
    Molar Refractivity: 88.7±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 6
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: 0.73
    ACD/LogD (pH 5.5): -0.51
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.99
    ACD/LogD (pH 7.4): 0.75
    ACD/BCF (pH 7.4): 2.04
    ACD/KOC (pH 7.4): 53.69
    Polar Surface Area: 165 Å2
    Polarizability: 35.2±0.5 10-24cm3
    Surface Tension: 67.2±3.0 dyne/cm
    Molar Volume: 254.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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