ChemSpider 2D Image | N-{(1s)-2-{4-[(5s)-1,1-Dioxido-3-Oxoisothiazolidin-5-Yl]phenyl}-1-[(4r)-4-(2-Phenylethyl)-4,5-Dihydro-1h-Imidazol-2-Yl]ethyl}-3-Fluorobenzenesulfonamide | C28H29FN4O5S2

N-{(1s)-2-{4-[(5s)-1,1-Dioxido-3-Oxoisothiazolidin-5-Yl]phenyl}-1-[(4r)-4-(2-Phenylethyl)-4,5-Dihydro-1h-Imidazol-2-Yl]ethyl}-3-Fluorobenzenesulfonamide

  • Molecular FormulaC28H29FN4O5S2
  • Average mass584.682 Da
  • Monoisotopic mass584.156311 Da
  • ChemSpider ID25061161
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

3-Fluoro-N-{(1S)-2-{4-[(5S)-3-oxo-1,1-dioxydo-1,2-thiazolidin-5-yl]phényl}-1-[(4R)-4-(2-phényléthyl)-4,5-dihydro-1H-imidazol-2-yl]éthyl}benzènesulfonamide [French] [ACD/IUPAC Name]
Benzenesulfonamide, N-[(1S)-1-[(4R)-4,5-dihydro-4-(2-phenylethyl)-1H-imidazol-2-yl]-2-[4-[(5S)-1,1-dioxido-3-oxo-5-isothiazolidinyl]phenyl]ethyl]-3-fluoro- [ACD/Index Name]
N-{(1S)-2-{4-[(5S)-1,1-Dioxido-3-oxo-1,2-thiazolidin-5-yl]phenyl}-1-[(4R)-4-(2-phenylethyl)-4,5-dihydro-1H-imidazol-2-yl]ethyl}-3-fluorbenzolsulfonamid [German] [ACD/IUPAC Name]
N-{(1S)-2-{4-[(5S)-1,1-Dioxido-3-oxo-1,2-thiazolidin-5-yl]phenyl}-1-[(4R)-4-(2-phenylethyl)-4,5-dihydro-1H-imidazol-2-yl]ethyl}-3-fluorobenzenesulfonamide [ACD/IUPAC Name]
N-{(1s)-2-{4-[(5s)-1,1-Dioxido-3-Oxoisothiazolidin-5-Yl]phenyl}-1-[(4r)-4-(2-Phenylethyl)-4,5-Dihydro-1h-Imidazol-2-Yl]ethyl}-3-Fluorobenzenesulfonamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.682
Molar Refractivity: 151.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.21
ACD/LogD (pH 5.5): 0.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.86
ACD/LogD (pH 7.4): 0.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.31
Polar Surface Area: 151 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 59.3±7.0 dyne/cm
Molar Volume: 399.6±7.0 cm3

Click to predict properties on the Chemicalize site






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