ChemSpider 2D Image | (2-{[3-(5-Fluoro-2-pyridinyl)-1H-pyrazol-1-yl]methyl}-1,3-oxazinan-3-yl)[5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]methanone | C23H22FN7O2

(2-{[3-(5-Fluoro-2-pyridinyl)-1H-pyrazol-1-yl]methyl}-1,3-oxazinan-3-yl)[5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]methanone

  • Molecular FormulaC23H22FN7O2
  • Average mass447.465 Da
  • Monoisotopic mass447.181915 Da
  • ChemSpider ID61751857

More details:

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

(2-{[3-(5-Fluor-2-pyridinyl)-1H-pyrazol-1-yl]methyl}-1,3-oxazinan-3-yl)[5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]methanon [German] [ACD/IUPAC Name]
(2-{[3-(5-Fluoro-2-pyridinyl)-1H-pyrazol-1-yl]methyl}-1,3-oxazinan-3-yl)[5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]methanone [ACD/IUPAC Name]
(2-{[3-(5-Fluoro-2-pyridinyl)-1H-pyrazol-1-yl]méthyl}-1,3-oxazinan-3-yl)[5-méthyl-2-(2H-1,2,3-triazol-2-yl)phényl]méthanone [French] [ACD/IUPAC Name]
Methanone, [2-[[3-(5-fluoro-2-pyridinyl)-1H-pyrazol-1-yl]methyl]dihydro-2H-1,3-oxazin-3(4H)-yl][5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]- [ACD/Index 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: 689.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.1±3.0 kJ/mol
Flash Point: 371.0±34.3 °C
Index of Refraction: 1.695
Molar Refractivity: 121.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.77
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 19.53
ACD/KOC (pH 5.5): 292.05
ACD/LogD (pH 7.4): 2.00
ACD/BCF (pH 7.4): 19.53
ACD/KOC (pH 7.4): 292.05
Polar Surface Area: 91 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 56.1±7.0 dyne/cm
Molar Volume: 316.9±7.0 cm3

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