ChemSpider 2D Image | {4-[3-Ethyl-1-(methylsulfonyl)-3-pyrrolidinyl]-1-piperazinyl}[3-(trifluoromethoxy)phenyl]methanone | C19H26F3N3O4S

{4-[3-Ethyl-1-(methylsulfonyl)-3-pyrrolidinyl]-1-piperazinyl}[3-(trifluoromethoxy)phenyl]methanone

  • Molecular FormulaC19H26F3N3O4S
  • Average mass449.488 Da
  • Monoisotopic mass449.159607 Da
  • ChemSpider ID44234522

More details:

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

{4-[3-Ethyl-1-(methylsulfonyl)-3-pyrrolidinyl]-1-piperazinyl}[3-(trifluormethoxy)phenyl]methanon [German] [ACD/IUPAC Name]
{4-[3-Ethyl-1-(methylsulfonyl)-3-pyrrolidinyl]-1-piperazinyl}[3-(trifluoromethoxy)phenyl]methanone [ACD/IUPAC Name]
{4-[3-Éthyl-1-(méthylsulfonyl)-3-pyrrolidinyl]-1-pipérazinyl}[3-(trifluorométhoxy)phényl]méthanone [French] [ACD/IUPAC Name]
Methanone, [4-[3-ethyl-1-(methylsulfonyl)-3-pyrrolidinyl]-1-piperazinyl][3-(trifluoromethoxy)phenyl]- [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: 529.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.4±3.0 kJ/mol
Flash Point: 273.9±32.9 °C
Index of Refraction: 1.569
Molar Refractivity: 105.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.73
ACD/LogD (pH 5.5): 1.49
ACD/BCF (pH 5.5): 4.24
ACD/KOC (pH 5.5): 46.61
ACD/LogD (pH 7.4): 2.56
ACD/BCF (pH 7.4): 49.82
ACD/KOC (pH 7.4): 547.33
Polar Surface Area: 79 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 52.7±5.0 dyne/cm
Molar Volume: 322.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement