ChemSpider 2D Image | (4S,5R)-3-{[5-(5-Chloro-2-methoxy-3-pyridinyl)-2-(3-fluoro-1-azetidinyl)-4-pyrimidinyl]methyl}-5-(3,5-difluorophenyl)-4-methyl-1,3-oxazolidin-2-one | C24H21ClF3N5O3

(4S,5R)-3-{[5-(5-Chloro-2-methoxy-3-pyridinyl)-2-(3-fluoro-1-azetidinyl)-4-pyrimidinyl]methyl}-5-(3,5-difluorophenyl)-4-methyl-1,3-oxazolidin-2-one

  • Molecular FormulaC24H21ClF3N5O3
  • Average mass519.903 Da
  • Monoisotopic mass519.128479 Da
  • ChemSpider ID76777971

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4S,5R)-3-{[5-(5-Chlor-2-methoxy-3-pyridinyl)-2-(3-fluor-1-azetidinyl)-4-pyrimidinyl]methyl}-5-(3,5-difluorphenyl)-4-methyl-1,3-oxazolidin-2-on [German] [ACD/IUPAC Name]
(4S,5R)-3-{[5-(5-Chloro-2-methoxy-3-pyridinyl)-2-(3-fluoro-1-azetidinyl)-4-pyrimidinyl]methyl}-5-(3,5-difluorophenyl)-4-methyl-1,3-oxazolidin-2-one [ACD/IUPAC Name]
(4S,5R)-3-{[5-(5-Chloro-2-méthoxy-3-pyridinyl)-2-(3-fluoro-1-azétidinyl)-4-pyrimidinyl]méthyl}-5-(3,5-difluorophényl)-4-méthyl-1,3-oxazolidin-2-one [French] [ACD/IUPAC Name]
2-Oxazolidinone, 3-[[5-(5-chloro-2-methoxy-3-pyridinyl)-2-(3-fluoro-1-azetidinyl)-4-pyrimidinyl]methyl]-5-(3,5-difluorophenyl)-4-methyl-, (4S,5R)- [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: 689.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.1±3.0 kJ/mol
Flash Point: 371.0±34.3 °C
Index of Refraction: 1.638
Molar Refractivity: 123.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.27
ACD/LogD (pH 5.5): 4.04
ACD/BCF (pH 5.5): 689.79
ACD/KOC (pH 5.5): 3745.67
ACD/LogD (pH 7.4): 4.04
ACD/BCF (pH 7.4): 689.95
ACD/KOC (pH 7.4): 3746.49
Polar Surface Area: 81 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 68.0±5.0 dyne/cm
Molar Volume: 344.0±5.0 cm3

Click to predict properties on the Chemicalize site


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