ChemSpider 2D Image | 2-{[Bis(4-fluorophenyl)methyl]sulfanyl}-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)acetamide | C21H21F2N3OS

2-{[Bis(4-fluorophenyl)methyl]sulfanyl}-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)acetamide

  • Molecular FormulaC21H21F2N3OS
  • Average mass401.473 Da
  • Monoisotopic mass401.137329 Da
  • ChemSpider ID22389978

More details:

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

2-{[Bis(4-fluorophenyl)methyl]sulfanyl}-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)acetamide [ACD/IUPAC Name]
2-{[Bis(4-fluorophényl)méthyl]sulfanyl}-N-(1,3,5-triméthyl-1H-pyrazol-4-yl)acétamide [French] [ACD/IUPAC Name]
2-{[Bis(4-fluorphenyl)methyl]sulfanyl}-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)acetamid [German] [ACD/IUPAC Name]
Acetamide, 2-[[bis(4-fluorophenyl)methyl]thio]-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 528.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.3±3.0 kJ/mol
Flash Point: 273.2±30.1 °C
Index of Refraction: 1.600
Molar Refractivity: 109.6±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.78
ACD/LogD (pH 5.5): 4.56
ACD/BCF (pH 5.5): 1712.42
ACD/KOC (pH 5.5): 7178.64
ACD/LogD (pH 7.4): 4.56
ACD/BCF (pH 7.4): 1714.79
ACD/KOC (pH 7.4): 7188.59
Polar Surface Area: 72 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 40.4±7.0 dyne/cm
Molar Volume: 320.2±7.0 cm3

Click to predict properties on the Chemicalize site


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