ChemSpider 2D Image | N-[(4-Fluorophenyl)(phenyl)methyl]-2-{[5-(trifluoromethyl)-2-pyridinyl]sulfanyl}acetamide | C21H16F4N2OS

N-[(4-Fluorophenyl)(phenyl)methyl]-2-{[5-(trifluoromethyl)-2-pyridinyl]sulfanyl}acetamide

  • Molecular FormulaC21H16F4N2OS
  • Average mass420.423 Da
  • Monoisotopic mass420.091949 Da
  • ChemSpider ID31459862

More details:

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

Acetamide, N-[(4-fluorophenyl)phenylmethyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]thio]- [ACD/Index Name]
N-[(4-Fluorophenyl)(phenyl)methyl]-2-{[5-(trifluoromethyl)-2-pyridinyl]sulfanyl}acetamide [ACD/IUPAC Name]
N-[(4-Fluorophényl)(phényl)méthyl]-2-{[5-(trifluorométhyl)-2-pyridinyl]sulfanyl}acétamide [French] [ACD/IUPAC Name]
N-[(4-Fluorphenyl)(phenyl)methyl]-2-{[5-(trifluormethyl)-2-pyridinyl]sulfanyl}acetamid [German] [ACD/IUPAC 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: 570.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.5±3.0 kJ/mol
Flash Point: 298.7±30.1 °C
Index of Refraction: 1.599
Molar Refractivity: 104.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.23
ACD/LogD (pH 5.5): 4.79
ACD/BCF (pH 5.5): 2564.53
ACD/KOC (pH 5.5): 9588.78
ACD/LogD (pH 7.4): 4.79
ACD/BCF (pH 7.4): 2564.53
ACD/KOC (pH 7.4): 9588.78
Polar Surface Area: 67 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 51.2±5.0 dyne/cm
Molar Volume: 306.6±5.0 cm3

Click to predict properties on the Chemicalize site


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