ChemSpider 2D Image | (4-Methyl-1-piperidinyl)(1-{[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]carbonyl}-4-piperidinyl)methanone | C22H26F3N3O2S

(4-Methyl-1-piperidinyl)(1-{[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]carbonyl}-4-piperidinyl)methanone

  • Molecular FormulaC22H26F3N3O2S
  • Average mass453.521 Da
  • Monoisotopic mass453.169769 Da
  • ChemSpider ID69553119

More details:

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

(4-Methyl-1-piperidinyl)(1-{[3-methyl-6-(trifluormethyl)thieno[2,3-b]pyridin-2-yl]carbonyl}-4-piperidinyl)methanon [German] [ACD/IUPAC Name]
(4-Methyl-1-piperidinyl)(1-{[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]carbonyl}-4-piperidinyl)methanone [ACD/IUPAC Name]
(4-Méthyl-1-pipéridinyl)(1-{[3-méthyl-6-(trifluorométhyl)thiéno[2,3-b]pyridin-2-yl]carbonyl}-4-pipéridinyl)méthanone [French] [ACD/IUPAC Name]
Methanone, (4-methyl-1-piperidinyl)[1-[[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]carbonyl]-4-piperidinyl]- [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: 601.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.5±3.0 kJ/mol
Flash Point: 317.3±31.5 °C
Index of Refraction: 1.575
Molar Refractivity: 114.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.09
ACD/LogD (pH 5.5): 3.82
ACD/BCF (pH 5.5): 472.98
ACD/KOC (pH 5.5): 2859.23
ACD/LogD (pH 7.4): 3.82
ACD/BCF (pH 7.4): 473.02
ACD/KOC (pH 7.4): 2859.45
Polar Surface Area: 82 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 47.9±3.0 dyne/cm
Molar Volume: 345.9±3.0 cm3

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