ChemSpider 2D Image | (4R)-1-{[1-(4-Bromophenyl)cyclopropyl]carbonyl}-4-[(2-chlorophenyl)sulfonyl]-N-[1-(iminomethyl)cyclopropyl]-L-prolinamide | C25H25BrClN3O4S

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

  • Molecular FormulaC25H25BrClN3O4S
  • Average mass578.906 Da
  • Monoisotopic mass577.043762 Da
  • ChemSpider ID26329414

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4R)-1-{[1-(4-Bromophenyl)cyclopropyl]carbonyl}-4-[(2-chlorophenyl)sulfonyl]-N-[1-(iminomethyl)cyclopropyl]-L-prolinamide [ACD/IUPAC Name]
(4R)-1-{[1-(4-Bromophényl)cyclopropyl]carbonyl}-4-[(2-chlorophényl)sulfonyl]-N-[1-(iminométhyl)cyclopropyl]-L-prolinamide [French] [ACD/IUPAC Name]
(4R)-1-{[1-(4-Bromphenyl)cyclopropyl]carbonyl}-4-[(2-chlorphenyl)sulfonyl]-N-[1-(iminomethyl)cyclopropyl]-L-prolinamid [German] [ACD/IUPAC Name]
2-Pyrrolidinecarboxamide, 1-[[1-(4-bromophenyl)cyclopropyl]carbonyl]-4-[(2-chlorophenyl)sulfonyl]-N-[1-(iminomethyl)cyclopropyl]-, (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: 1.718
Molar Refractivity: 138.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.70
ACD/LogD (pH 5.5): 0.96
ACD/BCF (pH 5.5): 1.04
ACD/KOC (pH 5.5): 9.70
ACD/LogD (pH 7.4): 1.16
ACD/BCF (pH 7.4): 1.68
ACD/KOC (pH 7.4): 15.69
Polar Surface Area: 116 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 65.7±7.0 dyne/cm
Molar Volume: 351.7±7.0 cm3

Click to predict properties on the Chemicalize site


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