ChemSpider 2D Image | JTK-853 | C28H23F7N6O4S2

JTK-853

  • Molecular FormulaC28H23F7N6O4S2
  • Average mass704.639 Da
  • Monoisotopic mass704.111023 Da
  • ChemSpider ID32701415

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-4-(5-Cyclopropyl[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-N-[3-fluor-4-(trifluormethoxy)benzyl]-1-{[4-(trifluormethyl)phenyl]sulfonyl}-2-piperazincarboxamid [German] [ACD/IUPAC Name]
(2R)-4-(5-Cyclopropyl[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-N-[3-fluoro-4-(trifluoromethoxy)benzyl]-1-{[4-(trifluoromethyl)phenyl]sulfonyl}-2-piperazinecarboxamide [ACD/IUPAC Name]
(2R)-4-(5-Cyclopropyl[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-N-[3-fluoro-4-(trifluorométhoxy)benzyl]-1-{[4-(trifluorométhyl)phényl]sulfonyl}-2-pipérazinecarboxamide [French] [ACD/IUPAC Name]
2-Piperazinecarboxamide, 4-(5-cyclopropylthiazolo[4,5-d]pyrimidin-2-yl)-N-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-1-[[4-(trifluoromethyl)phenyl]sulfonyl]-, (2R)- [ACD/Index Name]
954389-09-4 [RN]
JTK-853
WDX8QQD13B
(2R)-4-(5-cyclopropyl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-N-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-1-[4-(trifluoromethyl)phenyl]sulfonylpiperazine-2-carboxamide
(2r)-4-(5-Cyclopropyl[1,3]thiazolo[4,5-D]pyrimidin-2-Yl)-N-[3-Fluoro-4-(Trifluoromethoxy)benzyl]-1-{[4-(Trifluoromethyl)phenyl]sulfonyl}piperazine-2-Carboxamide
2-Piperazinecarboxamide, 4-(5-cyclopropylthiazolo(4,5-d)pyrimidin-2-yl)-n-((3-fluoro-4-(trifluoromethoxy)phenyl)methyl)-1-((4-(trifluoromethyl)phenyl)sulfonyl)-, (2R)-
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.605
Molar Refractivity: 155.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.21
ACD/LogD (pH 5.5): 4.01
ACD/BCF (pH 5.5): 653.73
ACD/KOC (pH 5.5): 3604.49
ACD/LogD (pH 7.4): 4.01
ACD/BCF (pH 7.4): 653.84
ACD/KOC (pH 7.4): 3605.08
Polar Surface Area: 154 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 57.7±3.0 dyne/cm
Molar Volume: 450.2±3.0 cm3

Click to predict properties on the Chemicalize site


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