ChemSpider 2D Image | (4R)-4-[(2-Chloro-4-{[(2S)-1,1,1-trifluoro-2-propanyl]oxy}phenyl)sulfonyl]-N-[1-(iminomethyl)cyclopropyl]-1-{[1-(trifluoromethyl)cyclopropyl]carbonyl}-L-prolinamide | C23H24ClF6N3O5S

(4R)-4-[(2-Chloro-4-{[(2S)-1,1,1-trifluoro-2-propanyl]oxy}phenyl)sulfonyl]-N-[1-(iminomethyl)cyclopropyl]-1-{[1-(trifluoromethyl)cyclopropyl]carbonyl}-L-prolinamide

  • Molecular FormulaC23H24ClF6N3O5S
  • Average mass603.962 Da
  • Monoisotopic mass603.102966 Da
  • ChemSpider ID35034170

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4R)-4-[(2-Chlor-4-{[(2S)-1,1,1-trifluor-2-propanyl]oxy}phenyl)sulfonyl]-N-[1-(iminomethyl)cyclopropyl]-1-{[1-(trifluormethyl)cyclopropyl]carbonyl}-L-prolinamid [German] [ACD/IUPAC Name]
(4R)-4-[(2-Chloro-4-{[(2S)-1,1,1-trifluoro-2-propanyl]oxy}phenyl)sulfonyl]-N-[1-(iminomethyl)cyclopropyl]-1-{[1-(trifluoromethyl)cyclopropyl]carbonyl}-L-prolinamide [ACD/IUPAC Name]
(4R)-4-[(2-Chloro-4-{[(2S)-1,1,1-trifluoro-2-propanyl]oxy}phényl)sulfonyl]-N-[1-(iminométhyl)cyclopropyl]-1-{[1-(trifluorométhyl)cyclopropyl]carbonyl}-L-prolinamide [French] [ACD/IUPAC Name]
2-Pyrrolidinecarboxamide, 4-[[2-chloro-4-[(1S)-2,2,2-trifluoro-1-methylethoxy]phenyl]sulfonyl]-N-[1-(iminomethyl)cyclopropyl]-1-[[1-(trifluoromethyl)cyclopropyl]carbonyl]-, (2S,4R)- [ACD/Index Name]

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: 1.598
Molar Refractivity: 125.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 1.60
ACD/LogD (pH 5.5): 0.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.19
ACD/LogD (pH 7.4): 0.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.13
Polar Surface Area: 125 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 49.3±7.0 dyne/cm
Molar Volume: 369.1±7.0 cm3

Click to predict properties on the Chemicalize site


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