ChemSpider 2D Image | 1-{1'-[4-(Trifluoromethyl)-2-pyrimidinyl]-6,7-dihydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidin]-5(1H)-yl}ethanone | C17H19F3N6O

1-{1'-[4-(Trifluoromethyl)-2-pyrimidinyl]-6,7-dihydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidin]-5(1H)-yl}ethanone

  • Molecular FormulaC17H19F3N6O
  • Average mass380.368 Da
  • Monoisotopic mass380.157257 Da
  • ChemSpider ID29694936

More details:

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

1-{1'-[4-(Trifluoromethyl)-2-pyrimidinyl]-6,7-dihydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidin]-5(1H)-yl}ethanone [ACD/IUPAC Name]
Ethanone, 1-[6,7-dihydro-1'-[4-(trifluoromethyl)-2-pyrimidinyl]spiro[4H-imidazo[4,5-c]pyridine-4,4'-piperidin]-5(1H)-yl]- [ACD/Index Name]
5-acetyl-1'-[4-(trifluoromethyl)pyrimidin-2-yl]-1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidine]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 649.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.7±3.0 kJ/mol
Flash Point: 346.3±34.3 °C
Index of Refraction: 1.605
Molar Refractivity: 89.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.76
ACD/LogD (pH 5.5): 1.43
ACD/BCF (pH 5.5): 4.79
ACD/KOC (pH 5.5): 65.68
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 25.08
ACD/KOC (pH 7.4): 343.82
Polar Surface Area: 78 Å2
Polarizability: 35.4±0.5 10-24cm3
Surface Tension: 67.1±5.0 dyne/cm
Molar Volume: 259.1±5.0 cm3

Click to predict properties on the Chemicalize site


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