ChemSpider 2D Image | 1-(N-{[3-(Trifluoromethyl)phenyl]sulfonyl}isoleucyl)-4-piperidinecarboxamide | C19H26F3N3O4S

1-(N-{[3-(Trifluoromethyl)phenyl]sulfonyl}isoleucyl)-4-piperidinecarboxamide

  • Molecular FormulaC19H26F3N3O4S
  • Average mass449.488 Da
  • Monoisotopic mass449.159607 Da
  • ChemSpider ID21955514

More details:

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

1-(N-{[3-(Trifluormethyl)phenyl]sulfonyl}isoleucyl)-4-piperidincarboxamid [German] [ACD/IUPAC Name]
1-(N-{[3-(Trifluoromethyl)phenyl]sulfonyl}isoleucyl)-4-piperidinecarboxamide [ACD/IUPAC Name]
1-(N-{[3-(Trifluorométhyl)phényl]sulfonyl}isoleucyl)-4-pipéridinecarboxamide [French] [ACD/IUPAC Name]
4-Piperidinecarboxamide, 1-[3-methyl-1-oxo-2-[[[3-(trifluoromethyl)phenyl]sulfonyl]amino]pentyl]- [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: 624.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.4±3.0 kJ/mol
Flash Point: 331.3±34.3 °C
Index of Refraction: 1.528
Molar Refractivity: 105.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.32
ACD/LogD (pH 5.5): 2.25
ACD/BCF (pH 5.5): 30.18
ACD/KOC (pH 5.5): 398.76
ACD/LogD (pH 7.4): 2.24
ACD/BCF (pH 7.4): 29.37
ACD/KOC (pH 7.4): 388.10
Polar Surface Area: 118 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 44.6±3.0 dyne/cm
Molar Volume: 342.5±3.0 cm3

Click to predict properties on the Chemicalize site


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