ChemSpider 2D Image | N-(4-Fluorobenzyl)-4-{2-[2-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-3-yl]ethyl}-1-piperazinecarboxamide | C21H22F4N6O

N-(4-Fluorobenzyl)-4-{2-[2-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-3-yl]ethyl}-1-piperazinecarboxamide

  • Molecular FormulaC21H22F4N6O
  • Average mass450.433 Da
  • Monoisotopic mass450.179108 Da
  • ChemSpider ID28385752

More details:

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

1-Piperazinecarboxamide, N-[(4-fluorophenyl)methyl]-4-[2-[2-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-3-yl]ethyl]- [ACD/Index Name]
N-(4-Fluorbenzyl)-4-{2-[2-(trifluormethyl)-3H-imidazo[4,5-b]pyridin-3-yl]ethyl}-1-piperazincarboxamid [German] [ACD/IUPAC Name]
N-(4-Fluorobenzyl)-4-{2-[2-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-3-yl]ethyl}-1-piperazinecarboxamide [ACD/IUPAC Name]
N-(4-Fluorobenzyl)-4-{2-[2-(trifluorométhyl)-3H-imidazo[4,5-b]pyridin-3-yl]éthyl}-1-pipérazinecarboxamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 626.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.7±3.0 kJ/mol
Flash Point: 332.6±31.5 °C
Index of Refraction: 1.618
Molar Refractivity: 111.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.63
ACD/LogD (pH 5.5): 1.41
ACD/BCF (pH 5.5): 4.38
ACD/KOC (pH 5.5): 57.97
ACD/LogD (pH 7.4): 2.22
ACD/BCF (pH 7.4): 28.02
ACD/KOC (pH 7.4): 370.58
Polar Surface Area: 66 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 46.7±7.0 dyne/cm
Molar Volume: 317.1±7.0 cm3

Click to predict properties on the Chemicalize site


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