ChemSpider 2D Image | N-Methyl-N-[2-(4-{methyl[3-(trifluoromethyl)benzyl]amino}-1-piperidinyl)-2-oxoethyl]-2-thiophenecarboxamide | C22H26F3N3O2S

N-Methyl-N-[2-(4-{methyl[3-(trifluoromethyl)benzyl]amino}-1-piperidinyl)-2-oxoethyl]-2-thiophenecarboxamide

  • Molecular FormulaC22H26F3N3O2S
  • Average mass453.521 Da
  • Monoisotopic mass453.169769 Da
  • ChemSpider ID31920318

More details:

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

2-Thiophenecarboxamide, N-methyl-N-[2-[4-[methyl[[3-(trifluoromethyl)phenyl]methyl]amino]-1-piperidinyl]-2-oxoethyl]- [ACD/Index Name]
N-Methyl-N-[2-(4-{methyl[3-(trifluormethyl)benzyl]amino}-1-piperidinyl)-2-oxoethyl]-2-thiophencarboxamid [German] [ACD/IUPAC Name]
N-Methyl-N-[2-(4-{methyl[3-(trifluoromethyl)benzyl]amino}-1-piperidinyl)-2-oxoethyl]-2-thiophenecarboxamide [ACD/IUPAC Name]
N-Méthyl-N-[2-(4-{méthyl[3-(trifluorométhyl)benzyl]amino}-1-pipéridinyl)-2-oxoéthyl]-2-thiophènecarboxamide [French] [ACD/IUPAC 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: 568.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.3±3.0 kJ/mol
Flash Point: 297.6±30.1 °C
Index of Refraction: 1.582
Molar Refractivity: 115.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.23
ACD/LogD (pH 5.5): 1.47
ACD/BCF (pH 5.5): 2.64
ACD/KOC (pH 5.5): 19.54
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 106.57
ACD/KOC (pH 7.4): 789.41
Polar Surface Area: 72 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 50.8±5.0 dyne/cm
Molar Volume: 345.7±5.0 cm3

Click to predict properties on the Chemicalize site


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