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Search term: CBNRXBOSORWJKD-JOCHJYFZSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-[(2R)-1-(4-{3-[3-Fluoro-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl}-1-piperazinyl)-1-oxo-2-propanyl]cyclohexanecarboxamide | C31H38FN5O4

N-[(2R)-1-(4-{3-[3-Fluoro-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl}-1-piperazinyl)-1-oxo-2-propanyl]cyclohexanecarboxamide

  • Molecular FormulaC31H38FN5O4
  • Average mass563.663 Da
  • Monoisotopic mass563.290771 Da
  • ChemSpider ID23230789

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Cyclohexanecarboxamide, N-[(1R)-2-[4-[3-[3-fluoro-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]-1-piperazinyl]-1-methyl-2-oxoethyl]- [ACD/Index Name]
N-[(2R)-1-(4-{3-[3-Fluor-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl}-1-piperazinyl)-1-oxo-2-propanyl]cyclohexancarboxamid [German] [ACD/IUPAC Name]
N-[(2R)-1-(4-{3-[3-Fluoro-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl}-1-piperazinyl)-1-oxo-2-propanyl]cyclohexanecarboxamide [ACD/IUPAC Name]
N-[(2R)-1-(4-{3-[3-Fluoro-4-(5-phényl-1,2,4-oxadiazol-3-yl)phénoxy]propyl}-1-pipérazinyl)-1-oxo-2-propanyl]cyclohexanecarboxamide [French] [ACD/IUPAC Name]
N-[(2R)-1-(4-{3-[3-fluoro-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl}piperazin-1-yl)-1-oxopropan-2-yl]cyclohexanecarboxamide
CHEMBL346296
Cyclohexanecarboxylic acid [(R)-2-(4-{3-[3-fluoro-4-(5-phenyl-[1,2,4]oxadiazol-3-yl)-phenoxy]-propyl}-piperazin-1-yl)-1-methyl-2-oxo-ethyl]-amide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL346296/

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.564
Molar Refractivity: 151.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.40
ACD/LogD (pH 5.5): 3.67
ACD/BCF (pH 5.5): 251.88
ACD/KOC (pH 5.5): 1171.68
ACD/LogD (pH 7.4): 4.33
ACD/BCF (pH 7.4): 1135.89
ACD/KOC (pH 7.4): 5283.73
Polar Surface Area: 101 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 49.3±3.0 dyne/cm
Molar Volume: 464.7±3.0 cm3

Click to predict properties on the Chemicalize site


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