ChemSpider 2D Image | 5-[2-Chloro-5-(trifluoromethyl)phenyl]-N-{3-[1-(2-{[(2S)-2-hydroxypropyl]amino}-4-pyrimidinyl)-1H-imidazol-2-yl]phenyl}-3-furamide | C28H22ClF3N6O3

5-[2-Chloro-5-(trifluoromethyl)phenyl]-N-{3-[1-(2-{[(2S)-2-hydroxypropyl]amino}-4-pyrimidinyl)-1H-imidazol-2-yl]phenyl}-3-furamide

  • Molecular FormulaC28H22ClF3N6O3
  • Average mass582.961 Da
  • Monoisotopic mass582.139404 Da
  • ChemSpider ID24665514

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-Furancarboxamide, 5-[2-chloro-5-(trifluoromethyl)phenyl]-N-[3-[1-[2-[[(2S)-2-hydroxypropyl]amino]-4-pyrimidinyl]-1H-imidazol-2-yl]phenyl]- [ACD/Index Name]
5-[2-Chlor-5-(trifluormethyl)phenyl]-N-{3-[1-(2-{[(2S)-2-hydroxypropyl]amino}-4-pyrimidinyl)-1H-imidazol-2-yl]phenyl}-3-furamid [German] [ACD/IUPAC Name]
5-[2-Chloro-5-(trifluoromethyl)phenyl]-N-{3-[1-(2-{[(2S)-2-hydroxypropyl]amino}-4-pyrimidinyl)-1H-imidazol-2-yl]phenyl}-3-furamide [ACD/IUPAC Name]
5-[2-Chloro-5-(trifluorométhyl)phényl]-N-{3-[1-(2-{[(2S)-2-hydroxypropyl]amino}-4-pyrimidinyl)-1H-imidazol-2-yl]phényl}-3-furamide [French] [ACD/IUPAC 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.654
Molar Refractivity: 145.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.37
ACD/LogD (pH 5.5): 4.92
ACD/BCF (pH 5.5): 3240.47
ACD/KOC (pH 5.5): 11327.93
ACD/LogD (pH 7.4): 4.92
ACD/BCF (pH 7.4): 3249.22
ACD/KOC (pH 7.4): 11358.51
Polar Surface Area: 118 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 50.7±7.0 dyne/cm
Molar Volume: 397.8±7.0 cm3

Click to predict properties on the Chemicalize site


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