ChemSpider 2D Image | 4-[4-(2-Methyl-2-propanyl)phenoxy]-N-{(1R)-1-[4-(methylsulfonyl)phenyl]ethyl}butanamide | C23H31NO4S

4-[4-(2-Methyl-2-propanyl)phenoxy]-N-{(1R)-1-[4-(methylsulfonyl)phenyl]ethyl}butanamide

  • Molecular FormulaC23H31NO4S
  • Average mass417.561 Da
  • Monoisotopic mass417.197388 Da
  • ChemSpider ID62309645

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-[4-(2-Methyl-2-propanyl)phenoxy]-N-{(1R)-1-[4-(methylsulfonyl)phenyl]ethyl}butanamid [German] [ACD/IUPAC Name]
4-[4-(2-Methyl-2-propanyl)phenoxy]-N-{(1R)-1-[4-(methylsulfonyl)phenyl]ethyl}butanamide [ACD/IUPAC Name]
4-[4-(2-Méthyl-2-propanyl)phénoxy]-N-{(1R)-1-[4-(méthylsulfonyl)phényl]éthyl}butanamide [French] [ACD/IUPAC Name]
Butanamide, 4-[4-(1,1-dimethylethyl)phenoxy]-N-[(1R)-1-[4-(methylsulfonyl)phenyl]ethyl]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 639.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.4±3.0 kJ/mol
Flash Point: 340.5±31.5 °C
Index of Refraction: 1.540
Molar Refractivity: 116.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.31
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 34.34
ACD/KOC (pH 5.5): 437.50
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 34.34
ACD/KOC (pH 7.4): 437.50
Polar Surface Area: 81 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 41.3±3.0 dyne/cm
Molar Volume: 371.8±3.0 cm3

Click to predict properties on the Chemicalize site


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