ChemSpider 2D Image | N-(2-Fluoro-4-methylphenyl)-4-[2-(methylsulfanyl)ethyl]-1-piperazinecarboxamide | C15H22FN3OS

N-(2-Fluoro-4-methylphenyl)-4-[2-(methylsulfanyl)ethyl]-1-piperazinecarboxamide

  • Molecular FormulaC15H22FN3OS
  • Average mass311.418 Da
  • Monoisotopic mass311.146759 Da
  • ChemSpider ID30950694

More details:

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

1-Piperazinecarboxamide, N-(2-fluoro-4-methylphenyl)-4-[2-(methylthio)ethyl]- [ACD/Index Name]
N-(2-Fluor-4-methylphenyl)-4-[2-(methylsulfanyl)ethyl]-1-piperazincarboxamid [German] [ACD/IUPAC Name]
N-(2-Fluoro-4-methylphenyl)-4-[2-(methylsulfanyl)ethyl]-1-piperazinecarboxamide [ACD/IUPAC Name]
N-(2-Fluoro-4-méthylphényl)-4-[2-(méthylsulfanyl)éthyl]-1-pipérazinecarboxamide [French] [ACD/IUPAC Name]
N-(2-FLUORO-4-METHYLPHENYL)-4-[2-(METHYLSULFANYL)ETHYL]PIPERAZINE-1-CARBOXAMIDE
N-(2-fluoro-4-methylphenyl)-4-[2-(methylthio)ethyl]piperazine-1-carboxamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 489.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.6±3.0 kJ/mol
Flash Point: 249.7±28.7 °C
Index of Refraction: 1.588
Molar Refractivity: 86.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.09
ACD/LogD (pH 5.5): 1.86
ACD/BCF (pH 5.5): 10.31
ACD/KOC (pH 5.5): 117.40
ACD/LogD (pH 7.4): 2.53
ACD/BCF (pH 7.4): 48.55
ACD/KOC (pH 7.4): 552.82
Polar Surface Area: 61 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 49.7±3.0 dyne/cm
Molar Volume: 255.7±3.0 cm3

Click to predict properties on the Chemicalize site


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