ChemSpider 2D Image | (4R)-4-[(2-Chlorophenyl)sulfonyl]-1-{[1-(4-fluorophenyl)cyclopropyl]carbonyl}-N-[1-(iminomethyl)cyclopropyl]-L-prolinamide | C25H25ClFN3O4S

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

  • Molecular FormulaC25H25ClFN3O4S
  • Average mass518.000 Da
  • Monoisotopic mass517.123840 Da
  • ChemSpider ID26326609
  • 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]-1-{[1-(4-fluorophenyl)cyclopropyl]carbonyl}-N-[1-(iminomethyl)cyclopropyl]-L-prolinamide [ACD/IUPAC Name]
(4R)-4-[(2-Chlorophényl)sulfonyl]-1-{[1-(4-fluorophényl)cyclopropyl]carbonyl}-N-[1-(iminométhyl)cyclopropyl]-L-prolinamide [French] [ACD/IUPAC Name]
(4R)-4-[(2-Chlorphenyl)sulfonyl]-1-{[1-(4-fluorphenyl)cyclopropyl]carbonyl}-N-[1-(iminomethyl)cyclopropyl]-L-prolinamid [German] [ACD/IUPAC Name]
2-Pyrrolidinecarboxamide, 4-[(2-chlorophenyl)sulfonyl]-1-[[1-(4-fluorophenyl)cyclopropyl]carbonyl]-N-[1-(iminomethyl)cyclopropyl]-, (2S,4R)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.691
Molar Refractivity: 130.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 0.98
ACD/LogD (pH 5.5): 0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.26
ACD/LogD (pH 7.4): 0.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.27
Polar Surface Area: 116 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 61.5±7.0 dyne/cm
Molar Volume: 342.1±7.0 cm3

Click to predict properties on the Chemicalize site






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