ChemSpider 2D Image | (8aR)-N-(4-Fluorobenzyl)-3-oxo-1,1-diphenyltetrahydro[1,3]oxazolo[3,4-a]pyrazine-7(1H)-carboxamide | C26H24FN3O3

(8aR)-N-(4-Fluorobenzyl)-3-oxo-1,1-diphenyltetrahydro[1,3]oxazolo[3,4-a]pyrazine-7(1H)-carboxamide

  • Molecular FormulaC26H24FN3O3
  • Average mass445.486 Da
  • Monoisotopic mass445.180176 Da
  • ChemSpider ID26347869

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(8aR)-N-(4-Fluorbenzyl)-3-oxo-1,1-diphenyltetrahydro[1,3]oxazolo[3,4-a]pyrazin-7(1H)-carboxamid [German] [ACD/IUPAC Name]
(8aR)-N-(4-Fluorobenzyl)-3-oxo-1,1-diphenyltetrahydro[1,3]oxazolo[3,4-a]pyrazine-7(1H)-carboxamide [ACD/IUPAC Name]
(8aR)-N-(4-Fluorobenzyl)-3-oxo-1,1-diphényltétrahydro[1,3]oxazolo[3,4-a]pyrazine-7(1H)-carboxamide [French] [ACD/IUPAC Name]
3H-Oxazolo[3,4-a]pyrazine-7(1H)-carboxamide, N-[(4-fluorophenyl)methyl]tetrahydro-3-oxo-1,1-diphenyl-, (8aR)- [ACD/Index Name]
SHA 68R

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

Density: 1.4±0.1 g/cm3
Boiling Point: 727.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.3±3.0 kJ/mol
Flash Point: 394.0±32.9 °C
Index of Refraction: 1.671
Molar Refractivity: 122.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.32
ACD/LogD (pH 5.5): 4.08
ACD/BCF (pH 5.5): 741.11
ACD/KOC (pH 5.5): 3943.32
ACD/LogD (pH 7.4): 4.08
ACD/BCF (pH 7.4): 741.10
ACD/KOC (pH 7.4): 3943.27
Polar Surface Area: 62 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 63.6±5.0 dyne/cm
Molar Volume: 328.0±5.0 cm3

Click to predict properties on the Chemicalize site


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