ChemSpider 2D Image | Elexacaftor | C26H34F3N7O4S

Elexacaftor

  • Molecular FormulaC26H34F3N7O4S
  • Average mass597.653 Da
  • Monoisotopic mass597.234497 Da
  • ChemSpider ID75531299

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2216712-66-0 [RN]
3-Pyridinecarboxamide, N-[(1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl]-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)-1H-pyrazol-1-yl]-2-[(4S)-2,2,4-trimethyl-1-pyrrolidinyl]- [ACD/Index Name]
Elexacaftor [INN]
élexacaftor [French] [INN]
elexacaftorum [Latin] [INN]
N-(1,3-dimethylpyrazol-4-ylsulfonyl)-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
N-[(1,3-Dimethyl-1H-pyrazol-4-yl)sulfonyl]-6-[3-(3,3,3-trifluor-2,2-dimethylpropoxy)-1H-pyrazol-1-yl]-2-[(4S)-2,2,4-trimethyl-1-pyrrolidinyl]nicotinamid [German] [ACD/IUPAC Name]
N-[(1,3-Dimethyl-1H-pyrazol-4-yl)sulfonyl]-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)-1H-pyrazol-1-yl]-2-[(4S)-2,2,4-trimethyl-1-pyrrolidinyl]nicotinamide [ACD/IUPAC Name]
N-[(1,3-Diméthyl-1H-pyrazol-4-yl)sulfonyl]-6-[3-(3,3,3-trifluoro-2,2-diméthylpropoxy)-1H-pyrazol-1-yl]-2-[(4S)-2,2,4-triméthyl-1-pyrrolidinyl]nicotinamide [French] [ACD/IUPAC Name]
N-[(1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl]-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)-1H-pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
More...

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.605
Molar Refractivity: 148.2±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.79
ACD/LogD (pH 5.5): 2.84
ACD/BCF (pH 5.5): 40.32
ACD/KOC (pH 5.5): 203.35
ACD/LogD (pH 7.4): 2.21
ACD/BCF (pH 7.4): 9.35
ACD/KOC (pH 7.4): 47.18
Polar Surface Area: 133 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 45.7±7.0 dyne/cm
Molar Volume: 430.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement