ChemSpider 2D Image | (3S,5R)-5-{3-[2-(1-Pyrrolidinyl)ethoxy]phenyl}-N-{4-[(trifluoromethyl)sulfanyl]benzyl}-3-piperidinecarboxamide | C26H32F3N3O2S

(3S,5R)-5-{3-[2-(1-Pyrrolidinyl)ethoxy]phenyl}-N-{4-[(trifluoromethyl)sulfanyl]benzyl}-3-piperidinecarboxamide

  • Molecular FormulaC26H32F3N3O2S
  • Average mass507.611 Da
  • Monoisotopic mass507.216736 Da
  • ChemSpider ID129176560

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,5R)-5-{3-[2-(1-Pyrrolidinyl)ethoxy]phenyl}-N-{4-[(trifluormethyl)sulfanyl]benzyl}-3-piperidincarboxamid [German] [ACD/IUPAC Name]
(3S,5R)-5-{3-[2-(1-Pyrrolidinyl)ethoxy]phenyl}-N-{4-[(trifluoromethyl)sulfanyl]benzyl}-3-piperidinecarboxamide [ACD/IUPAC Name]
(3S,5R)-5-{3-[2-(1-Pyrrolidinyl)éthoxy]phényl}-N-{4-[(trifluorométhyl)sulfanyl]benzyl}-3-pipéridinecarboxamide [French] [ACD/IUPAC Name]
3-Piperidinecarboxamide, 5-[3-[2-(1-pyrrolidinyl)ethoxy]phenyl]-N-[[4-[(trifluoromethyl)thio]phenyl]methyl]-, (3S,5R)- [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: 629.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.1±3.0 kJ/mol
Flash Point: 334.4±31.5 °C
Index of Refraction: 1.593
Molar Refractivity: 133.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.41
ACD/LogD (pH 5.5): 0.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.43
Polar Surface Area: 79 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 51.6±5.0 dyne/cm
Molar Volume: 394.2±5.0 cm3

Click to predict properties on the Chemicalize site


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