ChemSpider 2D Image | voxelotor | C19H19N3O3

voxelotor

  • Molecular FormulaC19H19N3O3
  • Average mass337.372 Da
  • Monoisotopic mass337.142639 Da
  • ChemSpider ID37999268

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

1446321-46-5 [RN]
2-HYDROXY-6-({2-[1-(PROPAN-2-YL)-1H-PYRAZOL-5-YL]PYRIDIN-3-YL}METHOXY)BENZALDEHYDE
2-Hydroxy-6-[[2-[1-(1-methylethyl)-1H-pyrazol-5-yl]-3-pyridinyl]methoxy]benzaldehyde
2-Hydroxy-6-{[2-(1-isopropyl-1H-pyrazol-5-yl)-3-pyridinyl]methoxy}benzaldehyd [German] [ACD/IUPAC Name]
2-Hydroxy-6-{[2-(1-isopropyl-1H-pyrazol-5-yl)-3-pyridinyl]methoxy}benzaldehyde [ACD/IUPAC Name]
2-Hydroxy-6-{[2-(1-isopropyl-1H-pyrazol-5-yl)-3-pyridinyl]méthoxy}benzaldéhyde [French] [ACD/IUPAC Name]
2-HYDROXY-6-{[2-(2-ISOPROPYLPYRAZOL-3-YL)PYRIDIN-3-YL]METHOXY}BENZALDEHYDE
Benzaldehyde, 2-hydroxy-6-[[2-[1-(1-methylethyl)-1H-pyrazol-5-yl]-3-pyridinyl]methoxy]- [ACD/Index Name]
Oxbryta [Trade name]
voxelotor [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

10454 [DBID]
3ZO554A4Q8 [DBID]
GBT-440 [DBID]
gbt 440 [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: 539.2±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 84.7±3.0 kJ/mol
    Flash Point: 279.9±30.1 °C
    Index of Refraction: 1.617
    Molar Refractivity: 95.3±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): 3.38
    ACD/BCF (pH 5.5): 218.71
    ACD/KOC (pH 5.5): 1636.81
    ACD/LogD (pH 7.4): 3.20
    ACD/BCF (pH 7.4): 143.76
    ACD/KOC (pH 7.4): 1075.89
    Polar Surface Area: 77 Å2
    Polarizability: 37.8±0.5 10-24cm3
    Surface Tension: 46.9±7.0 dyne/cm
    Molar Volume: 272.4±7.0 cm3

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