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ChemSpider 2D Image | N-[(1R)-1-(3-Chloro-4'-fluoro-4-biphenylyl)-2-(1H-imidazol-1-yl)ethyl]-4-{5-[3-fluoro-5-(5-fluoro-4-pyrimidinyl)phenyl]-1,3,4-oxadiazol-2-yl}benzamide | C36H23ClF3N7O2

N-[(1R)-1-(3-Chloro-4'-fluoro-4-biphenylyl)-2-(1H-imidazol-1-yl)ethyl]-4-{5-[3-fluoro-5-(5-fluoro-4-pyrimidinyl)phenyl]-1,3,4-oxadiazol-2-yl}benzamide

  • Molecular FormulaC36H23ClF3N7O2
  • Average mass678.062 Da
  • Monoisotopic mass677.155396 Da
  • ChemSpider ID129190548

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Benzamide, N-[(1R)-1-(3-chloro-4'-fluoro[1,1'-biphenyl]-4-yl)-2-(1H-imidazol-1-yl)ethyl]-4-[5-[3-fluoro-5-(5-fluoro-4-pyrimidinyl)phenyl]-1,3,4-oxadiazol-2-yl]- [ACD/Index Name]
N-[(1R)-1-(3-Chlor-4'-fluor-4-biphenylyl)-2-(1H-imidazol-1-yl)ethyl]-4-{5-[3-fluor-5-(5-fluor-4-pyrimidinyl)phenyl]-1,3,4-oxadiazol-2-yl}benzamid [German] [ACD/IUPAC Name]
N-[(1R)-1-(3-Chloro-4'-fluoro-4-biphenylyl)-2-(1H-imidazol-1-yl)ethyl]-4-{5-[3-fluoro-5-(5-fluoro-4-pyrimidinyl)phenyl]-1,3,4-oxadiazol-2-yl}benzamide [ACD/IUPAC Name]
N-[(1R)-1-(3-Chloro-4'-fluoro-4-biphénylyl)-2-(1H-imidazol-1-yl)éthyl]-4-{5-[3-fluoro-5-(5-fluoro-4-pyrimidinyl)phényl]-1,3,4-oxadiazol-2-yl}benzamide [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4522116/

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.685
Molar Refractivity: 179.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.94
ACD/LogD (pH 5.5): 5.21
ACD/BCF (pH 5.5): 2970.94
ACD/KOC (pH 5.5): 5264.92
ACD/LogD (pH 7.4): 6.23
ACD/BCF (pH 7.4): 31036.84
ACD/KOC (pH 7.4): 55001.56
Polar Surface Area: 112 Å2
Polarizability: 71.1±0.5 10-24cm3
Surface Tension: 52.1±7.0 dyne/cm
Molar Volume: 471.8±7.0 cm3

Click to predict properties on the Chemicalize site


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