ChemSpider 2D Image | Tezacaftor | C26H27F3N2O6

Tezacaftor

  • Molecular FormulaC26H27F3N2O6
  • Average mass520.498 Da
  • Monoisotopic mass520.182129 Da
  • ChemSpider ID28637762

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-(2,2-Difluor-1,3-benzodioxol-5-yl)-N-{1-[(2R)-2,3-dihydroxypropyl]-6-fluor-2-(1-hydroxy-2-methyl-2-propanyl)-1H-indol-5-yl}cyclopropancarboxamid [German] [ACD/IUPAC Name]
1-(2,2-Difluoro-1,3-benzodioxol-5-yl)-N-[1-[(2R)-2,3-dihydroxypropyl]-6-fluoro-2-(2-hydroxy-1,1-dimethylethyl)-1H-indol-5-yl]cyclopropanecarboxamide
1-(2,2-Difluoro-1,3-benzodioxol-5-yl)-N-{1-[(2R)-2,3-dihydroxypropyl]-6-fluoro-2-(1-hydroxy-2-methyl-2-propanyl)-1H-indol-5-yl}cyclopropanecarboxamide [ACD/IUPAC Name]
1-(2,2-Difluoro-1,3-benzodioxol-5-yl)-N-{1-[(2R)-2,3-dihydroxypropyl]-6-fluoro-2-(1-hydroxy-2-méthyl-2-propanyl)-1H-indol-5-yl}cyclopropanecarboxamide [French] [ACD/IUPAC Name]
1-(2,2-Difluoro-2H-1,3-benzodioxol-5-yl)-N-{1-[(2R)-2,3-dihydroxypropyl]-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-1H-indol-5-yl}cyclopropane-1-carboxamide
1152311-62-0 [RN]
8RW88Y506K
Cyclopropanecarboxamide, 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-[(2R)-2,3-dihydroxypropyl]-6-fluoro-2-(2-hydroxy-1,1-dimethylethyl)-1H-indol-5-yl]- [ACD/Index Name]
tezacaftor [Spanish] [INN]
tezacaftor [French] [INN]
More...

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

10104 [DBID]
VX-661 [DBID]
PubChem Substance ID 329825761 [DBID]
VX 661 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      CFTR MedChem Express HY-15448
      Membrane Transporter/Ion Channel MedChem Express HY-15448
      Membrane Transporter/Ion Channel; MedChem Express HY-15448
      VX-661 is a second F508del CFTR corrector and is believed to help CFTR protein reach the cell surface. MedChem Express
      VX-661 is a second F508del CFTR corrector and is believed to help CFTR protein reach the cell surface.; IC50 value:; Target: F508del CFTR; VX-661, known as a CTFR corrector, allows F508del mutant channels to escape degradation and transit to the cell membrane. MedChem Express HY-15448
      VX-661 is a second F508del CFTR corrector and is believed to help CFTR protein reach the cell surface.;IC50 value:;Target: F508del CFTRVX-661, known as a CTFR corrector, allows F508del mutant channels to escape degradation and transit to the cell membrane. MedChem Express HY-15448

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

Density: 1.5±0.1 g/cm3
Boiling Point: 610.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.4±3.0 kJ/mol
Flash Point: 323.2±31.5 °C
Index of Refraction: 1.628
Molar Refractivity: 123.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.65
ACD/LogD (pH 5.5): 2.59
ACD/BCF (pH 5.5): 54.47
ACD/KOC (pH 5.5): 608.66
ACD/LogD (pH 7.4): 2.59
ACD/BCF (pH 7.4): 54.47
ACD/KOC (pH 7.4): 608.66
Polar Surface Area: 113 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 50.5±7.0 dyne/cm
Molar Volume: 348.6±7.0 cm3

Click to predict properties on the Chemicalize site


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