ChemSpider 2D Image | (5R)-5-{5-Chloro-2-fluoro-4-[5-(6-isobutyl-2-methyl-4-pyrimidinyl)-1,2,4-oxadiazol-3-yl]phenoxy}-1-methyl-2-piperidinone | C23H25ClFN5O3

(5R)-5-{5-Chloro-2-fluoro-4-[5-(6-isobutyl-2-methyl-4-pyrimidinyl)-1,2,4-oxadiazol-3-yl]phenoxy}-1-methyl-2-piperidinone

  • Molecular FormulaC23H25ClFN5O3
  • Average mass473.928 Da
  • Monoisotopic mass473.162994 Da
  • ChemSpider ID58919828

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5R)-5-{5-Chlor-2-fluor-4-[5-(6-isobutyl-2-methyl-4-pyrimidinyl)-1,2,4-oxadiazol-3-yl]phenoxy}-1-methyl-2-piperidinon [German] [ACD/IUPAC Name]
(5R)-5-{5-Chloro-2-fluoro-4-[5-(6-isobutyl-2-methyl-4-pyrimidinyl)-1,2,4-oxadiazol-3-yl]phenoxy}-1-methyl-2-piperidinone [ACD/IUPAC Name]
(5R)-5-{5-Chloro-2-fluoro-4-[5-(6-isobutyl-2-méthyl-4-pyrimidinyl)-1,2,4-oxadiazol-3-yl]phénoxy}-1-méthyl-2-pipéridinone [French] [ACD/IUPAC Name]
2-Piperidinone, 5-[5-chloro-2-fluoro-4-[5-[2-methyl-6-(2-methylpropyl)-4-pyrimidinyl]-1,2,4-oxadiazol-3-yl]phenoxy]-1-methyl-, (5R)- [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: 649.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.8±3.0 kJ/mol
Flash Point: 346.7±34.3 °C
Index of Refraction: 1.566
Molar Refractivity: 120.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.94
ACD/LogD (pH 5.5): 4.36
ACD/BCF (pH 5.5): 1222.52
ACD/KOC (pH 5.5): 5642.32
ACD/LogD (pH 7.4): 4.36
ACD/BCF (pH 7.4): 1222.52
ACD/KOC (pH 7.4): 5642.32
Polar Surface Area: 94 Å2
Polarizability: 47.6±0.5 10-24cm3
Surface Tension: 51.1±3.0 dyne/cm
Molar Volume: 368.4±3.0 cm3

Click to predict properties on the Chemicalize site


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