ChemSpider 2D Image | N-[(2S,3S)-4-(4-Chlorophenyl)-3-(3-cyanophenyl)-2-butanyl]-2-methyl-2-[(5-{tris[(~18~F)fluoro]methyl}-2-pyridinyl)oxy]propanamide | C27H25Cl18F3N3O2

N-[(2S,3S)-4-(4-Chlorophenyl)-3-(3-cyanophenyl)-2-butanyl]-2-methyl-2-[(5-{tris[(18F)fluoro]methyl}-2-pyridinyl)oxy]propanamide

  • Molecular FormulaC27H25Cl18F3N3O2
  • Average mass512.962 Da
  • Monoisotopic mass512.166321 Da
  • ChemSpider ID9852651

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

N-[(2S,3S)-4-(4-Chlorophenyl)-3-(3-cyanophenyl)-2-butanyl]-2-methyl-2-[(5-{tris[(18F)fluoro]methyl}-2-pyridinyl)oxy]propanamide [ACD/IUPAC Name]
N-[(2S,3S)-4-(4-Chlorophényl)-3-(3-cyanophényl)-2-butanyl]-2-méthyl-2-[(5-{tris[(18F)fluoro]méthyl}-2-pyridinyl)oxy]propanamide [French] [ACD/IUPAC Name]
N-[(2S,3S)-4-(4-Chlorphenyl)-3-(3-cyanphenyl)-2-butanyl]-2-methyl-2-[(5-{tris[(18F)fluor]methyl}-2-pyridinyl)oxy]propanamid [German] [ACD/IUPAC Name]
Propanamide, N-[(1S,2S)-3-(4-chlorophenyl)-2-(3-cyanophenyl)-1-methylpropyl]-2-methyl-2-[[5-(trifluoro-18F-methyl)-2-pyridinyl]oxy]- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.575
Molar Refractivity: 130.9±0.4 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 51.4±5.0 dyne/cm
Molar Volume: 395.9±5.0 cm3

Click to predict properties on the Chemicalize site


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