ChemSpider 2D Image | N-{(1s)-2-{4-[(5s)-1,1-Dioxido-3-Oxoisothiazolidin-5-Yl]phenyl}-1-[4-(3-Phenylpropyl)-1h-Imidazol-2-Yl]ethyl}-3-Fluorobenzenesulfonamide | C29H29FN4O5S2

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

  • Molecular FormulaC29H29FN4O5S2
  • Average mass596.693 Da
  • Monoisotopic mass596.156311 Da
  • ChemSpider ID25061167

  • defined stereocentres - 2 of 2 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-[4-(3-phénylpropyl)-1H-imidazol-2-yl]éthyl}benzènesulfonamide [French] [ACD/IUPAC Name]
Benzenesulfonamide, N-[(1S)-2-[4-[(5S)-1,1-dioxido-3-oxo-5-isothiazolidinyl]phenyl]-1-[4-(3-phenylpropyl)-1H-imidazol-2-yl]ethyl]-3-fluoro- [ACD/Index Name]
N-{(1S)-2-{4-[(5S)-1,1-Dioxido-3-oxo-1,2-thiazolidin-5-yl]phenyl}-1-[4-(3-phenylpropyl)-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-[4-(3-phenylpropyl)-1H-imidazol-2-yl]ethyl}-3-fluorobenzenesulfonamide [ACD/IUPAC Name]
N-{(1s)-2-{4-[(5s)-1,1-Dioxido-3-Oxoisothiazolidin-5-Yl]phenyl}-1-[4-(3-Phenylpropyl)-1h-Imidazol-2-Yl]ethyl}-3-Fluorobenzenesulfonamide
IZ5

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: 1.634
Molar Refractivity: 152.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 3.62
ACD/LogD (pH 5.5): 1.31
ACD/BCF (pH 5.5): 1.98
ACD/KOC (pH 5.5): 15.72
ACD/LogD (pH 7.4): 1.21
ACD/BCF (pH 7.4): 1.56
ACD/KOC (pH 7.4): 12.35
Polar Surface Area: 155 Å2
Polarizability: 60.5±0.5 10-24cm3
Surface Tension: 61.1±3.0 dyne/cm
Molar Volume: 427.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement