ChemSpider 2D Image | (4aS,7aR)-Hexahydrocyclopenta[b][1,4]oxazin-4(4aH)-yl[3-(2-pyrimidinylamino)phenyl]methanone | C18H20N4O2

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

  • Molecular FormulaC18H20N4O2
  • Average mass324.377 Da
  • Monoisotopic mass324.158630 Da
  • ChemSpider ID106628239

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4aS,7aR)-Hexahydrocyclopenta[b][1,4]oxazin-4(4aH)-yl[3-(2-pyrimidinylamino)phenyl]methanon [German] [ACD/IUPAC Name]
(4aS,7aR)-Hexahydrocyclopenta[b][1,4]oxazin-4(4aH)-yl[3-(2-pyrimidinylamino)phenyl]methanone [ACD/IUPAC Name]
(4aS,7aR)-Hexahydrocyclopenta[b][1,4]oxazin-4(4aH)-yl[3-(2-pyrimidinylamino)phényl]méthanone [French] [ACD/IUPAC Name]
Methanone, [(4aS,7aR)-hexahydrocyclopent[b]-1,4-oxazin-4(4aH)-yl][3-(2-pyrimidinylamino)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: 561.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.4±3.0 kJ/mol
Flash Point: 293.1±32.9 °C
Index of Refraction: 1.638
Molar Refractivity: 90.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.93
ACD/LogD (pH 5.5): 1.64
ACD/BCF (pH 5.5): 10.46
ACD/KOC (pH 5.5): 186.71
ACD/LogD (pH 7.4): 1.64
ACD/BCF (pH 7.4): 10.48
ACD/KOC (pH 7.4): 187.10
Polar Surface Area: 67 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 60.8±3.0 dyne/cm
Molar Volume: 252.3±3.0 cm3

Click to predict properties on the Chemicalize site


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