ChemSpider 2D Image | 3-(1,1-Dioxido-1,2-thiazinan-2-yl)-5-(ethylamino)-2-fluoro-N-[(2S,3R)-3-hydroxy-1-phenyl-4-{[3-(trifluoromethyl)benzyl]amino}-2-butanyl]benzamide | C31H36F4N4O4S

3-(1,1-Dioxido-1,2-thiazinan-2-yl)-5-(ethylamino)-2-fluoro-N-[(2S,3R)-3-hydroxy-1-phenyl-4-{[3-(trifluoromethyl)benzyl]amino}-2-butanyl]benzamide

  • Molecular FormulaC31H36F4N4O4S
  • Average mass636.701 Da
  • Monoisotopic mass636.239319 Da
  • ChemSpider ID13112878
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

3-(1,1-Dioxido-1,2-thiazinan-2-yl)-5-(ethylamino)-2-fluor-N-[(2S,3R)-3-hydroxy-1-phenyl-4-{[3-(trifluormethyl)benzyl]amino}-2-butanyl]benzamid [German] [ACD/IUPAC Name]
3-(1,1-Dioxido-1,2-thiazinan-2-yl)-5-(ethylamino)-2-fluoro-N-[(2S,3R)-3-hydroxy-1-phenyl-4-{[3-(trifluoromethyl)benzyl]amino}-2-butanyl]benzamide [ACD/IUPAC Name]
3-(1,1-dioxido-1,2-thiazinan-2-yl)-5-(ethylamino)-2-fluoro-N-[(2S,3R)-3-hydroxy-1-phenyl-4-{[3-(trifluoromethyl)benzyl]amino}butan-2-yl]benzamide
3-(1,1-Dioxydo-1,2-thiazinan-2-yl)-5-(éthylamino)-2-fluoro-N-[(2S,3R)-3-hydroxy-1-phényl-4-{[3-(trifluorométhyl)benzyl]amino}-2-butanyl]benzamide [French] [ACD/IUPAC Name]
Benzamide, 5-(ethylamino)-2-fluoro-N-[(1S,2R)-2-hydroxy-1-(phenylmethyl)-3-[[[3-(trifluoromethyl)phenyl]methyl]amino]propyl]-3-(tetrahydro-1,1-dioxido-2H-1,2-thiazin-2-yl)- [ACD/Index Name]
706802-34-8 [RN]
GSK188909
GSK-188909
N-[(1S,2R)-1-benzyl-2-hydroxy-3-(3-trifluoromethyl-benzylamino)-propyl]-3-(1,1-dioxo-1λ*6*-[1,2]thiazinan-2-yl)-5-ethylamino-2-fluoro-benzamide

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.586
Molar Refractivity: 160.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 4.47
ACD/LogD (pH 5.5): 2.24
ACD/BCF (pH 5.5): 7.51
ACD/KOC (pH 5.5): 28.83
ACD/LogD (pH 7.4): 3.95
ACD/BCF (pH 7.4): 381.33
ACD/KOC (pH 7.4): 1463.76
Polar Surface Area: 119 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 51.5±3.0 dyne/cm
Molar Volume: 476.8±3.0 cm3

Click to predict properties on the Chemicalize site






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