ChemSpider 2D Image | (9S)-3-{2-[4-(6-Fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl](~2~H_4_)ethyl}-9-hydroxy-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one | C23H23D4FN4O3

(9S)-3-{2-[4-(6-Fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl](2H4)ethyl}-9-hydroxy-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one

  • Molecular FormulaC23H23D4FN4O3
  • Average mass430.509 Da
  • Monoisotopic mass430.231812 Da
  • ChemSpider ID115009767

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(9S)-3-{2-[4-(6-Fluor-1,2-benzoxazol-3-yl)-1-piperidinyl](2H4)ethyl}-9-hydroxy-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-on [German] [ACD/IUPAC Name]
(9S)-3-{2-[4-(6-Fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl](2H4)ethyl}-9-hydroxy-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one [ACD/IUPAC Name]
(9S)-3-{2-[4-(6-Fluoro-1,2-benzoxazol-3-yl)-1-pipéridinyl](2H4)éthyl}-9-hydroxy-2-méthyl-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, 3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl-1,1,2,2-d4]-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-, (9S)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 612.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.6±3.0 kJ/mol
Flash Point: 324.1±34.3 °C
Index of Refraction: 1.692
Molar Refractivity: 112.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.52
ACD/LogD (pH 5.5): -0.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.88
ACD/BCF (pH 7.4): 1.75
ACD/KOC (pH 7.4): 30.75
Polar Surface Area: 82 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 54.6±7.0 dyne/cm
Molar Volume: 294.1±7.0 cm3

Click to predict properties on the Chemicalize site


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