ChemSpider 2D Image | Seletalisib | C23H14ClF3N6O

Seletalisib

  • Molecular FormulaC23H14ClF3N6O
  • Average mass482.845 Da
  • Monoisotopic mass482.086975 Da
  • ChemSpider ID34985875

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1362850-20-1 [RN]
3-{8-chloro-3-[(1R)-2,2,2-trifluoro-1-({pyrido[3,2-d]pyrimidin-4-yl}amino)ethyl]quinolin-2-yl}pyridin-1-ium-1-olate
N-{(1R)-1-[8-Chlor-2-(1-oxido-3-pyridinyl)-3-chinolinyl]-2,2,2-trifluorethyl}pyrido[3,2-d]pyrimidin-4-amin [German] [ACD/IUPAC Name]
N-{(1R)-1-[8-Chloro-2-(1-oxido-3-pyridinyl)-3-quinolinyl]-2,2,2-trifluoroethyl}pyrido[3,2-d]pyrimidin-4-amine [ACD/IUPAC Name]
N-{(1R)-1-[8-Chloro-2-(1-oxydo-3-pyridinyl)-3-quinoléinyl]-2,2,2-trifluoroéthyl}pyrido[3,2-d]pyrimidin-4-amine [French] [ACD/IUPAC Name]
Pyrido[3,2-d]pyrimidin-4-amine, N-[(1R)-1-[8-chloro-2-(1-oxido-3-pyridinyl)-3-quinolinyl]-2,2,2-trifluoroethyl]- [ACD/Index Name]
seletalisib [Spanish] [INN]
Seletalisib [INN]
sélétalisib [French] [INN]
seletalisibum [Latin] [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

10023 [DBID]
64CW205BDD [DBID]
UNII-64CW205BDD [DBID]
UNII:64CW205BDD [DBID]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 710.8±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 103.9±3.0 kJ/mol
    Flash Point: 383.7±32.9 °C
    Index of Refraction: 1.692
    Molar Refractivity: 120.6±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.21
    ACD/LogD (pH 5.5): 3.80
    ACD/BCF (pH 5.5): 452.02
    ACD/KOC (pH 5.5): 2758.82
    ACD/LogD (pH 7.4): 3.80
    ACD/BCF (pH 7.4): 457.25
    ACD/KOC (pH 7.4): 2790.77
    Polar Surface Area: 89 Å2
    Polarizability: 47.8±0.5 10-24cm3
    Surface Tension: 53.4±7.0 dyne/cm
    Molar Volume: 314.9±7.0 cm3

    Click to predict properties on the Chemicalize site


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