ChemSpider 2D Image | 2-[(2-Cyanophenyl)sulfanyl]-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide | C22H16F2N2O3S

2-[(2-Cyanophenyl)sulfanyl]-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide

  • Molecular FormulaC22H16F2N2O3S
  • Average mass426.436 Da
  • Monoisotopic mass426.084961 Da
  • ChemSpider ID21941060

More details:

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

2-[(2-Cyanophenyl)sulfanyl]-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide [ACD/IUPAC Name]
2-[(2-Cyanophényl)sulfanyl]-N-[3-(difluorométhoxy)-4-méthoxyphényl]benzamide [French] [ACD/IUPAC Name]
2-[(2-Cyanphenyl)sulfanyl]-N-[3-(difluormethoxy)-4-methoxyphenyl]benzamid [German] [ACD/IUPAC Name]
Benzamide, 2-[(2-cyanophenyl)thio]-N-[3-(difluoromethoxy)-4-methoxyphenyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 474.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.7±3.0 kJ/mol
Flash Point: 240.6±28.7 °C
Index of Refraction: 1.633
Molar Refractivity: 110.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.88
ACD/LogD (pH 5.5): 4.46
ACD/BCF (pH 5.5): 1432.91
ACD/KOC (pH 5.5): 6321.50
ACD/LogD (pH 7.4): 4.46
ACD/BCF (pH 7.4): 1432.85
ACD/KOC (pH 7.4): 6321.22
Polar Surface Area: 97 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 59.7±5.0 dyne/cm
Molar Volume: 308.1±5.0 cm3

Click to predict properties on the Chemicalize site


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