Found 1 result

Search term: PKXSVHQEPFONSZ-FIPFOOKPSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-(3-Fluoro-2-{2-[(2S,6S)-6-methyl-1-(phenylsulfonyl)-2-piperazinyl]ethyl}phenyl)-3,3-bis(4-fluorophenyl)propanamide | C34H34F3N3O3S

N-(3-Fluoro-2-{2-[(2S,6S)-6-methyl-1-(phenylsulfonyl)-2-piperazinyl]ethyl}phenyl)-3,3-bis(4-fluorophenyl)propanamide

  • Molecular FormulaC34H34F3N3O3S
  • Average mass621.712 Da
  • Monoisotopic mass621.227295 Da
  • ChemSpider ID90632551

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Benzenepropanamide, 4-fluoro-N-[3-fluoro-2-[2-[(2S,6S)-6-methyl-1-(phenylsulfonyl)-2-piperazinyl]ethyl]phenyl]-β-(4-fluorophenyl)- [ACD/Index Name]
N-(3-Fluor-2-{2-[(2S,6S)-6-methyl-1-(phenylsulfonyl)-2-piperazinyl]ethyl}phenyl)-3,3-bis(4-fluorphenyl)propanamid [German] [ACD/IUPAC Name]
N-(3-Fluoro-2-{2-[(2S,6S)-6-methyl-1-(phenylsulfonyl)-2-piperazinyl]ethyl}phenyl)-3,3-bis(4-fluorophenyl)propanamide [ACD/IUPAC Name]
N-(3-Fluoro-2-{2-[(2S,6S)-6-méthyl-1-(phénylsulfonyl)-2-pipérazinyl]éthyl}phényl)-3,3-bis(4-fluorophényl)propanamide [French] [ACD/IUPAC 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: 1.597
Molar Refractivity: 165.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.49
ACD/LogD (pH 5.5): 4.51
ACD/BCF (pH 5.5): 459.23
ACD/KOC (pH 5.5): 654.66
ACD/LogD (pH 7.4): 6.20
ACD/BCF (pH 7.4): 22515.37
ACD/KOC (pH 7.4): 32096.72
Polar Surface Area: 87 Å2
Polarizability: 65.6±0.5 10-24cm3
Surface Tension: 47.9±3.0 dyne/cm
Molar Volume: 485.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement