ChemSpider 2D Image | 3-{2-[4-(6-Fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]ethyl}-2-(~2~H_3_)methyl(9,9-~2~H_2_)-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one | C23H22D5FN4O2

3-{2-[4-(6-Fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]ethyl}-2-(2H3)methyl(9,9-2H2)-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one

  • Molecular FormulaC23H22D5FN4O2
  • Average mass415.515 Da
  • Monoisotopic mass415.243195 Da
  • ChemSpider ID94269853
  • Non-standard isotope - Non-standard isotope


More details:






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

3-{2-[4-(6-Fluor-1,2-benzoxazol-3-yl)-1-piperidinyl]ethyl}-2-(2H3)methyl(9,9-2H2)-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-on [German] [ACD/IUPAC Name]
3-{2-[4-(6-Fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]ethyl}-2-(2H3)methyl(9,9-2H2)-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one [ACD/IUPAC Name]
3-{2-[4-(6-Fluoro-1,2-benzoxazol-3-yl)-1-pipéridinyl]éthyl}-2-(2H3)méthyl(9,9-2H2)-6,7,8,9-tétrahydro-4H-pyrido[1,2-a]pyrimidin-4-one [French] [ACD/IUPAC Name]
4H-Pyrido[1,2-a]pyrimidin-4-one-9-d, 3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-9-d-2-(methyl-d3)- [ACD/Index Name]
1225444-63-2 [RN]
Risperidone-D5

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 572.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.8±3.0 kJ/mol
Flash Point: 300.0±32.9 °C
Index of Refraction: 1.677
Molar Refractivity: 111.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.88
ACD/LogD (pH 5.5): 0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.97
ACD/LogD (pH 7.4): 1.81
ACD/BCF (pH 7.4): 9.06
ACD/KOC (pH 7.4): 100.33
Polar Surface Area: 62 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 51.1±7.0 dyne/cm
Molar Volume: 296.8±7.0 cm3

Click to predict properties on the Chemicalize site






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