ChemSpider 2D Image | (4R)-N-[1-(Iminomethyl)cyclopropyl]-1-[(1-methylcyclopropyl)carbonyl]-4-{[4-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)phenyl]sulfonyl}-L-prolinamide | C23H25F6N3O5S

(4R)-N-[1-(Iminomethyl)cyclopropyl]-1-[(1-methylcyclopropyl)carbonyl]-4-{[4-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)phenyl]sulfonyl}-L-prolinamide

  • Molecular FormulaC23H25F6N3O5S
  • Average mass569.517 Da
  • Monoisotopic mass569.141907 Da
  • ChemSpider ID35035650

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4R)-N-[1-(Iminomethyl)cyclopropyl]-1-[(1-methylcyclopropyl)carbonyl]-4-{[4-(2,2,2-trifluorethoxy)-2-(trifluormethyl)phenyl]sulfonyl}-L-prolinamid [German] [ACD/IUPAC Name]
(4R)-N-[1-(Iminomethyl)cyclopropyl]-1-[(1-methylcyclopropyl)carbonyl]-4-{[4-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)phenyl]sulfonyl}-L-prolinamide [ACD/IUPAC Name]
(4R)-N-[1-(Iminométhyl)cyclopropyl]-1-[(1-méthylcyclopropyl)carbonyl]-4-{[4-(2,2,2-trifluoroéthoxy)-2-(trifluorométhyl)phényl]sulfonyl}-L-prolinamide [French] [ACD/IUPAC Name]
2-Pyrrolidinecarboxamide, N-[1-(iminomethyl)cyclopropyl]-1-[(1-methylcyclopropyl)carbonyl]-4-[[4-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)phenyl]sulfonyl]-, (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: 1.589
Molar Refractivity: 121.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 1.86
ACD/LogD (pH 5.5): 0.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.07
ACD/LogD (pH 7.4): 0.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.12
Polar Surface Area: 125 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 48.4±7.0 dyne/cm
Molar Volume: 359.8±7.0 cm3

Click to predict properties on the Chemicalize site


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