ChemSpider 2D Image | (4S)-3-{4-[6-Amino-5-(2-pyrimidinyl)-3-pyridinyl]phenyl}-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one | C26H23N5O2

(4S)-3-{4-[6-Amino-5-(2-pyrimidinyl)-3-pyridinyl]phenyl}-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one

  • Molecular FormulaC26H23N5O2
  • Average mass437.493 Da
  • Monoisotopic mass437.185181 Da
  • ChemSpider ID31126372
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(4S)-3-{4-[6-Amino-5-(2-pyrimidinyl)-3-pyridinyl]phenyl}-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-on [German] [ACD/IUPAC Name]
(4S)-3-{4-[6-Amino-5-(2-pyrimidinyl)-3-pyridinyl]phenyl}-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one [ACD/IUPAC Name]
(4S)-3-{4-[6-Amino-5-(2-pyrimidinyl)-3-pyridinyl]phényl}-5,5-diméthyl-4-phényl-1,3-oxazolidin-2-one [French] [ACD/IUPAC Name]
(4s)-3-{4-[6-Amino-5-(Pyrimidin-2-Yl)pyridin-3-Yl]phenyl}-5,5-Dimethyl-4-Phenyl-1,3-Oxazolidin-2-One
2-Oxazolidinone, 3-[4-[6-amino-5-(2-pyrimidinyl)-3-pyridinyl]phenyl]-5,5-dimethyl-4-phenyl-, (4S)- [ACD/Index Name]
2GV

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

Density: 1.3±0.1 g/cm3
Boiling Point: 582.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.0±3.0 kJ/mol
Flash Point: 305.8±30.1 °C
Index of Refraction: 1.641
Molar Refractivity: 125.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.59
ACD/LogD (pH 5.5): 4.76
ACD/BCF (pH 5.5): 2370.49
ACD/KOC (pH 5.5): 8798.87
ACD/LogD (pH 7.4): 4.80
ACD/BCF (pH 7.4): 2627.53
ACD/KOC (pH 7.4): 9752.96
Polar Surface Area: 94 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 57.2±3.0 dyne/cm
Molar Volume: 346.6±3.0 cm3

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