ChemSpider 2D Image | N-Cyclopropyl-2-(4-{4-methoxy-3-[(trifluoromethyl)sulfanyl]benzyl}-1-piperazinyl)-2-oxoacetamide | C18H22F3N3O3S

N-Cyclopropyl-2-(4-{4-methoxy-3-[(trifluoromethyl)sulfanyl]benzyl}-1-piperazinyl)-2-oxoacetamide

  • Molecular FormulaC18H22F3N3O3S
  • Average mass417.446 Da
  • Monoisotopic mass417.133392 Da
  • ChemSpider ID30261886

More details:

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

1-Piperazineacetamide, N-cyclopropyl-4-[[4-methoxy-3-[(trifluoromethyl)thio]phenyl]methyl]-α-oxo- [ACD/Index Name]
N-Cyclopropyl-2-(4-{4-methoxy-3-[(trifluormethyl)sulfanyl]benzyl}-1-piperazinyl)-2-oxoacetamid [German] [ACD/IUPAC Name]
N-Cyclopropyl-2-(4-{4-methoxy-3-[(trifluoromethyl)sulfanyl]benzyl}-1-piperazinyl)-2-oxoacetamide [ACD/IUPAC Name]
N-Cyclopropyl-2-(4-{4-méthoxy-3-[(trifluorométhyl)sulfanyl]benzyl}-1-pipérazinyl)-2-oxoacétamide [French] [ACD/IUPAC Name]
N-CYCLOPROPYL-2-[4-({4-METHOXY-3-[(TRIFLUOROMETHYL)SULFANYL]PHENYL}METHYL)PIPERAZIN-1-YL]-2-OXOACETAMIDE

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.585
Molar Refractivity: 100.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.46
ACD/LogD (pH 5.5): 1.69
ACD/BCF (pH 5.5): 10.23
ACD/KOC (pH 5.5): 163.67
ACD/LogD (pH 7.4): 1.86
ACD/BCF (pH 7.4): 15.31
ACD/KOC (pH 7.4): 244.99
Polar Surface Area: 87 Å2
Polarizability: 39.6±0.5 10-24cm3
Surface Tension: 53.6±5.0 dyne/cm
Molar Volume: 298.5±5.0 cm3

Click to predict properties on the Chemicalize site


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