ChemSpider 2D Image | [1-[1-[(1-methylpyrazol-4-yl)methyl]-3-piperidyl]imidazol-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone | C25H30F3N7O

[1-[1-[(1-methylpyrazol-4-yl)methyl]-3-piperidyl]imidazol-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

  • Molecular FormulaC25H30F3N7O
  • Average mass501.547 Da
  • Monoisotopic mass501.246399 Da
  • ChemSpider ID128775604

More details:

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

(1-{1-[(1-Methyl-1H-pyrazol-4-yl)methyl]-3-piperidinyl}-1H-imidazol-4-yl){4-[3-(trifluormethyl)phenyl]-1-piperazinyl}methanon [German] [ACD/IUPAC Name]
(1-{1-[(1-Méthyl-1H-pyrazol-4-yl)méthyl]-3-pipéridinyl}-1H-imidazol-4-yl){4-[3-(trifluorométhyl)phényl]-1-pipérazinyl}méthanone [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: 685.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.5±3.0 kJ/mol
Flash Point: 368.2±31.5 °C
Index of Refraction: 1.640
Molar Refractivity: 131.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 1.55
ACD/LogD (pH 5.5): -0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.37
ACD/LogD (pH 7.4): 1.48
ACD/BCF (pH 7.4): 5.42
ACD/KOC (pH 7.4): 74.64
Polar Surface Area: 62 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 49.3±7.0 dyne/cm
Molar Volume: 365.8±7.0 cm3

Click to predict properties on the Chemicalize site


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