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Search term: XSYZXEOMVXQXMI (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (4R)-4-{[2-Chloro-4-(4-ethyl-1-piperazinyl)phenyl]sulfonyl}-N-[1-(iminomethyl)cyclopropyl]-1-{[1-(trifluoromethyl)cyclopropyl]carbonyl}-L-prolinamide | C26H33ClF3N5O4S

(4R)-4-{[2-Chloro-4-(4-ethyl-1-piperazinyl)phenyl]sulfonyl}-N-[1-(iminomethyl)cyclopropyl]-1-{[1-(trifluoromethyl)cyclopropyl]carbonyl}-L-prolinamide

  • Molecular FormulaC26H33ClF3N5O4S
  • Average mass604.084 Da
  • Monoisotopic mass603.189392 Da
  • ChemSpider ID35033922

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4R)-4-{[2-Chlor-4-(4-ethyl-1-piperazinyl)phenyl]sulfonyl}-N-[1-(iminomethyl)cyclopropyl]-1-{[1-(trifluormethyl)cyclopropyl]carbonyl}-L-prolinamid [German] [ACD/IUPAC Name]
(4R)-4-{[2-Chloro-4-(4-ethyl-1-piperazinyl)phenyl]sulfonyl}-N-[1-(iminomethyl)cyclopropyl]-1-{[1-(trifluoromethyl)cyclopropyl]carbonyl}-L-prolinamide [ACD/IUPAC Name]
(4R)-4-{[2-Chloro-4-(4-éthyl-1-pipérazinyl)phényl]sulfonyl}-N-[1-(iminométhyl)cyclopropyl]-1-{[1-(trifluorométhyl)cyclopropyl]carbonyl}-L-prolinamide [French] [ACD/IUPAC Name]
2-Pyrrolidinecarboxamide, 4-[[2-chloro-4-(4-ethyl-1-piperazinyl)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: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.658
Molar Refractivity: 143.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 0.27
ACD/LogD (pH 5.5): -2.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.51
Polar Surface Area: 122 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 57.3±7.0 dyne/cm
Molar Volume: 389.8±7.0 cm3

Click to predict properties on the Chemicalize site


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