ChemSpider 2D Image | (4R)-N-{1-[(E)-Iminomethyl]cyclopropyl}-4-{[2-(trifluoromethyl)phenyl]sulfonyl}-L-prolinamide | C16H18F3N3O3S

(4R)-N-{1-[(E)-Iminomethyl]cyclopropyl}-4-{[2-(trifluoromethyl)phenyl]sulfonyl}-L-prolinamide

  • Molecular FormulaC16H18F3N3O3S
  • Average mass389.393 Da
  • Monoisotopic mass389.102081 Da
  • ChemSpider ID35034078
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(4R)-N-{1-[(E)-Iminomethyl]cyclopropyl}-4-{[2-(trifluormethyl)phenyl]sulfonyl}-L-prolinamid [German] [ACD/IUPAC Name]
(4R)-N-{1-[(E)-Iminomethyl]cyclopropyl}-4-{[2-(trifluoromethyl)phenyl]sulfonyl}-L-prolinamide [ACD/IUPAC Name]
(4R)-N-{1-[(E)-Iminométhyl]cyclopropyl}-4-{[2-(trifluorométhyl)phényl]sulfonyl}-L-prolinamide [French] [ACD/IUPAC Name]
2-Pyrrolidinecarboxamide, N-[1-[(E)-iminomethyl]cyclopropyl]-4-[[2-(trifluoromethyl)phenyl]sulfonyl]-, (2S,4R)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.628
Molar Refractivity: 87.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.92
ACD/LogD (pH 5.5): -2.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 108 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 53.9±7.0 dyne/cm
Molar Volume: 247.8±7.0 cm3

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