ChemSpider 2D Image | (4aS,7aR)-Hexahydropyrrolo[3,4-b][1,4]oxazin-4(4aH)-yl[3-(2-pyrazinyloxy)phenyl]methanone | C17H18N4O3

(4aS,7aR)-Hexahydropyrrolo[3,4-b][1,4]oxazin-4(4aH)-yl[3-(2-pyrazinyloxy)phenyl]methanone

  • Molecular FormulaC17H18N4O3
  • Average mass326.350 Da
  • Monoisotopic mass326.137878 Da
  • ChemSpider ID106072886

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4aS,7aR)-Hexahydropyrrolo[3,4-b][1,4]oxazin-4(4aH)-yl[3-(2-pyrazinyloxy)phenyl]methanon [German] [ACD/IUPAC Name]
(4aS,7aR)-Hexahydropyrrolo[3,4-b][1,4]oxazin-4(4aH)-yl[3-(2-pyrazinyloxy)phenyl]methanone [ACD/IUPAC Name]
(4aS,7aR)-Hexahydropyrrolo[3,4-b][1,4]oxazin-4(4aH)-yl[3-(2-pyrazinyloxy)phényl]méthanone [French] [ACD/IUPAC Name]
Methanone, [(4aS,7aR)-hexahydropyrrolo[3,4-b]-1,4-oxazin-4(4aH)-yl][3-(2-pyrazinyloxy)phenyl]- [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: 545.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.4±3.0 kJ/mol
Flash Point: 283.7±30.1 °C
Index of Refraction: 1.600
Molar Refractivity: 86.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.30
ACD/LogD (pH 5.5): -2.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.17
Polar Surface Area: 77 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 53.7±3.0 dyne/cm
Molar Volume: 252.9±3.0 cm3

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