ChemSpider 2D Image | 2-Methyl-2-propanyl {[(5S)-2-oxo-3-(4-{4-[3-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl}phenyl)-1,3-oxazolidin-5-yl]methyl}carbamate | C25H30F3N5O4

2-Methyl-2-propanyl {[(5S)-2-oxo-3-(4-{4-[3-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl}phenyl)-1,3-oxazolidin-5-yl]methyl}carbamate

  • Molecular FormulaC25H30F3N5O4
  • Average mass521.532 Da
  • Monoisotopic mass521.224976 Da
  • ChemSpider ID9504817

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

{[(5S)-2-Oxo-3-(4-{4-[3-(trifluorométhyl)-2-pyridinyl]-1-pipérazinyl}phényl)-1,3-oxazolidin-5-yl]méthyl}carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl {[(5S)-2-oxo-3-(4-{4-[3-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl}phenyl)-1,3-oxazolidin-5-yl]methyl}carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-{[(5S)-2-oxo-3-(4-{4-[3-(trifluormethyl)-2-pyridinyl]-1-piperazinyl}phenyl)-1,3-oxazolidin-5-yl]methyl}carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[[(5S)-2-oxo-3-[4-[4-[3-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]phenyl]-5-oxazolidinyl]methyl]-, 1,1-dimethylethyl ester [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: 654.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.4±3.0 kJ/mol
Flash Point: 349.8±31.5 °C
Index of Refraction: 1.550
Molar Refractivity: 128.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.86
ACD/LogD (pH 5.5): 3.58
ACD/BCF (pH 5.5): 194.91
ACD/KOC (pH 5.5): 880.51
ACD/LogD (pH 7.4): 4.38
ACD/BCF (pH 7.4): 1242.02
ACD/KOC (pH 7.4): 5610.79
Polar Surface Area: 87 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 46.3±3.0 dyne/cm
Molar Volume: 401.7±3.0 cm3

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