ChemSpider 2D Image | (4S)-3-(2-{[(1S)-1-{3-Fluoro-4-[(4-fluoro-1-piperidinyl)carbonyl]phenyl}ethyl]amino}-4-pyrimidinyl)-4-isopropyl-1,3-oxazolidin-2-one | C24H29F2N5O3

(4S)-3-(2-{[(1S)-1-{3-Fluoro-4-[(4-fluoro-1-piperidinyl)carbonyl]phenyl}ethyl]amino}-4-pyrimidinyl)-4-isopropyl-1,3-oxazolidin-2-one

  • Molecular FormulaC24H29F2N5O3
  • Average mass473.516 Da
  • Monoisotopic mass473.223846 Da
  • ChemSpider ID58896778

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4S)-3-(2-{[(1S)-1-{3-Fluor-4-[(4-fluor-1-piperidinyl)carbonyl]phenyl}ethyl]amino}-4-pyrimidinyl)-4-isopropyl-1,3-oxazolidin-2-on [German] [ACD/IUPAC Name]
(4S)-3-(2-{[(1S)-1-{3-Fluoro-4-[(4-fluoro-1-piperidinyl)carbonyl]phenyl}ethyl]amino}-4-pyrimidinyl)-4-isopropyl-1,3-oxazolidin-2-one [ACD/IUPAC Name]
(4S)-3-(2-{[(1S)-1-{3-Fluoro-4-[(4-fluoro-1-pipéridinyl)carbonyl]phényl}éthyl]amino}-4-pyrimidinyl)-4-isopropyl-1,3-oxazolidin-2-one [French] [ACD/IUPAC Name]
2-Oxazolidinone, 3-[2-[[(1S)-1-[3-fluoro-4-[(4-fluoro-1-piperidinyl)carbonyl]phenyl]ethyl]amino]-4-pyrimidinyl]-4-(1-methylethyl)-, (4S)- [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: 644.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.1±3.0 kJ/mol
Flash Point: 343.8±34.3 °C
Index of Refraction: 1.594
Molar Refractivity: 121.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.81
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 88.37
ACD/KOC (pH 5.5): 847.54
ACD/LogD (pH 7.4): 2.89
ACD/BCF (pH 7.4): 93.18
ACD/KOC (pH 7.4): 893.67
Polar Surface Area: 88 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 58.2±5.0 dyne/cm
Molar Volume: 357.3±5.0 cm3

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