ChemSpider 2D Image | N-{(1S)-3-[4-Benzyl-4-(hydroxymethyl)-1-piperidinyl]-1-[4-(trifluoromethyl)phenyl]propyl}cyclobutanecarboxamide | C28H35F3N2O2

N-{(1S)-3-[4-Benzyl-4-(hydroxymethyl)-1-piperidinyl]-1-[4-(trifluoromethyl)phenyl]propyl}cyclobutanecarboxamide

  • Molecular FormulaC28H35F3N2O2
  • Average mass488.585 Da
  • Monoisotopic mass488.265076 Da
  • ChemSpider ID25033191
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

Cyclobutanecarboxamide, N-[(1S)-3-[4-(hydroxymethyl)-4-(phenylmethyl)-1-piperidinyl]-1-[4-(trifluoromethyl)phenyl]propyl]- [ACD/Index Name]
N-{(1S)-3-[4-Benzyl-4-(hydroxymethyl)-1-piperidinyl]-1-[4-(trifluormethyl)phenyl]propyl}cyclobutancarboxamid [German] [ACD/IUPAC Name]
N-{(1S)-3-[4-Benzyl-4-(hydroxymethyl)-1-piperidinyl]-1-[4-(trifluoromethyl)phenyl]propyl}cyclobutanecarboxamide [ACD/IUPAC Name]
N-{(1S)-3-[4-Benzyl-4-(hydroxyméthyl)-1-pipéridinyl]-1-[4-(trifluorométhyl)phényl]propyl}cyclobutanecarboxamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 646.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.2±3.0 kJ/mol
Flash Point: 345.0±31.5 °C
Index of Refraction: 1.550
Molar Refractivity: 129.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.70
ACD/LogD (pH 5.5): 1.78
ACD/BCF (pH 5.5): 2.66
ACD/KOC (pH 5.5): 10.56
ACD/LogD (pH 7.4): 3.25
ACD/BCF (pH 7.4): 78.64
ACD/KOC (pH 7.4): 311.84
Polar Surface Area: 53 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 44.0±3.0 dyne/cm
Molar Volume: 407.9±3.0 cm3

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