ChemSpider 2D Image | N-(2,6-Dimethylphenyl)-2-(2-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}phenoxy)acetamide | C25H23N3O3S

N-(2,6-Dimethylphenyl)-2-(2-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}phenoxy)acetamide

  • Molecular FormulaC25H23N3O3S
  • Average mass445.533 Da
  • Monoisotopic mass445.146027 Da
  • ChemSpider ID21125014

More details:

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

Acetamide, N-(2,6-dimethylphenyl)-2-[2-[3-[4-(methylthio)phenyl]-1,2,4-oxadiazol-5-yl]phenoxy]- [ACD/Index Name]
N-(2,6-Dimethylphenyl)-2-(2-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}phenoxy)acetamid [German] [ACD/IUPAC Name]
N-(2,6-Dimethylphenyl)-2-(2-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}phenoxy)acetamide [ACD/IUPAC Name]
N-(2,6-Diméthylphényl)-2-(2-{3-[4-(méthylsulfanyl)phényl]-1,2,4-oxadiazol-5-yl}phénoxy)acétamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 684.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.5±3.0 kJ/mol
Flash Point: 367.9±34.3 °C
Index of Refraction: 1.634
Molar Refractivity: 127.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.79
ACD/LogD (pH 5.5): 4.14
ACD/BCF (pH 5.5): 403.96
ACD/KOC (pH 5.5): 1098.26
ACD/LogD (pH 7.4): 3.89
ACD/BCF (pH 7.4): 226.65
ACD/KOC (pH 7.4): 616.19
Polar Surface Area: 106 Å2
Polarizability: 50.6±0.5 10-24cm3
Surface Tension: 46.2±7.0 dyne/cm
Molar Volume: 356.9±7.0 cm3

Click to predict properties on the Chemicalize site


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