ChemSpider 2D Image | (4R)-4-[(2-Chlorophenyl)sulfonyl]-N-[1-(iminomethyl)cyclopropyl]-1-({1-[4-(trifluoromethyl)phenyl]cyclopropyl}carbonyl)-L-prolinamide | C26H25ClF3N3O4S

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

  • Molecular FormulaC26H25ClF3N3O4S
  • Average mass568.008 Da
  • Monoisotopic mass567.120667 Da
  • ChemSpider ID26329416

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4R)-4-[(2-Chlorophenyl)sulfonyl]-N-[1-(iminomethyl)cyclopropyl]-1-({1-[4-(trifluoromethyl)phenyl]cyclopropyl}carbonyl)-L-prolinamide [ACD/IUPAC Name]
(4R)-4-[(2-Chlorophényl)sulfonyl]-N-[1-(iminométhyl)cyclopropyl]-1-({1-[4-(trifluorométhyl)phényl]cyclopropyl}carbonyl)-L-prolinamide [French] [ACD/IUPAC Name]
(4R)-4-[(2-Chlorphenyl)sulfonyl]-N-[1-(iminomethyl)cyclopropyl]-1-({1-[4-(trifluormethyl)phenyl]cyclopropyl}carbonyl)-L-prolinamid [German] [ACD/IUPAC Name]
2-Pyrrolidinecarboxamide, 4-[(2-chlorophenyl)sulfonyl]-N-[1-(iminomethyl)cyclopropyl]-1-[[1-[4-(trifluoromethyl)phenyl]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: 1.657
Molar Refractivity: 135.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 1.50
ACD/LogD (pH 5.5): 0.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.10
ACD/LogD (pH 7.4): 1.02
ACD/BCF (pH 7.4): 1.31
ACD/KOC (pH 7.4): 13.13
Polar Surface Area: 116 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 56.4±7.0 dyne/cm
Molar Volume: 369.2±7.0 cm3

Click to predict properties on the Chemicalize site


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