Found 4 results

Search term: CAIPLUDSZJCLRO (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 4-Fluoro-N-(4-{[(1R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl]carbonyl}phenyl)benzenesulfonamide | C23H27FN2O3S

4-Fluoro-N-(4-{[(1R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl]carbonyl}phenyl)benzenesulfonamide

  • Molecular FormulaC23H27FN2O3S
  • Average mass430.535 Da
  • Monoisotopic mass430.172638 Da
  • ChemSpider ID24815426

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

4-Fluor-N-(4-{[(1R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl]carbonyl}phenyl)benzolsulfonamid [German] [ACD/IUPAC Name]
4-Fluoro-N-(4-{[(1R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl]carbonyl}phenyl)benzenesulfonamide [ACD/IUPAC Name]
4-Fluoro-N-(4-{[(1R)-1,3,3-triméthyl-6-azabicyclo[3.2.1]oct-6-yl]carbonyl}phényl)benzènesulfonamide [French] [ACD/IUPAC Name]
Benzenesulfonamide, 4-fluoro-N-[4-[[(1R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl]carbonyl]phenyl]- [ACD/Index Name]

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

ZINC00784083 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 561.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.4±3.0 kJ/mol
Flash Point: 293.4±32.9 °C
Index of Refraction: 1.596
Molar Refractivity: 114.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.48
ACD/LogD (pH 5.5): 4.35
ACD/BCF (pH 5.5): 1185.11
ACD/KOC (pH 5.5): 5474.04
ACD/LogD (pH 7.4): 3.86
ACD/BCF (pH 7.4): 377.92
ACD/KOC (pH 7.4): 1745.60
Polar Surface Area: 75 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 49.4±3.0 dyne/cm
Molar Volume: 337.5±3.0 cm3

Click to predict properties on the Chemicalize site


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