ChemSpider 2D Image | Olacaftor | C29H34FN3O4S

Olacaftor

  • Molecular FormulaC29H34FN3O4S
  • Average mass539.661 Da
  • Monoisotopic mass539.225403 Da
  • ChemSpider ID76826988

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-Pyridinecarboxamide, 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(phenylsulfonyl)-2-[(4S)-2,2,4-trimethyl-1-pyrrolidinyl]- [ACD/Index Name]
6-(3-Fluor-5-isobutoxyphenyl)-N-(phenylsulfonyl)-2-[(4S)-2,2,4-trimethyl-1-pyrrolidinyl]nicotinamid [German] [ACD/IUPAC Name]
6-(3-Fluoro-5-isobutoxyphenyl)-N-(phenylsulfonyl)-2-[(4S)-2,2,4-trimethyl-1-pyrrolidinyl]nicotinamide [ACD/IUPAC Name]
6-(3-Fluoro-5-isobutoxyphényl)-N-(phénylsulfonyl)-2-[(4S)-2,2,4-triméthyl-1-pyrrolidinyl]nicotinamide [French] [ACD/IUPAC Name]
Olacaftor
1897384-89-2 [RN]
N-(benzenesulfonyl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.563
Molar Refractivity: 145.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.43
ACD/LogD (pH 5.5): 4.29
ACD/BCF (pH 5.5): 506.45
ACD/KOC (pH 5.5): 1226.92
ACD/LogD (pH 7.4): 3.68
ACD/BCF (pH 7.4): 123.45
ACD/KOC (pH 7.4): 299.08
Polar Surface Area: 97 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 449.0±3.0 cm3

Click to predict properties on the Chemicalize site


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