ChemSpider 2D Image | (3R,4R)-N-(3-Fluoro-4-methoxyphenyl)-N'-[2-fluoro-4-(2-oxo-1(2H)-pyridinyl)phenyl]-1-(methylsulfonyl)-3,4-pyrrolidinedicarboxamide | C25H24F2N4O6S

(3R,4R)-N-(3-Fluoro-4-methoxyphenyl)-N'-[2-fluoro-4-(2-oxo-1(2H)-pyridinyl)phenyl]-1-(methylsulfonyl)-3,4-pyrrolidinedicarboxamide

  • Molecular FormulaC25H24F2N4O6S
  • Average mass546.543 Da
  • Monoisotopic mass546.138489 Da
  • ChemSpider ID25055203
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(3R,4R)-1-methanesulfonyl-pyrrolidine-3,4--dicarboxylic acid 3-[(3-fluoro-4-methoxy-phenyl)-amide] 4-{[2-fluoro-4-(2-oxo-2H-pyridin-1-yl)-phenyl]-amide}
(3R,4R)-N-(3-Fluor-4-methoxyphenyl)-N'-[2-fluor-4-(2-oxo-1(2H)-pyridinyl)phenyl]-1-(methylsulfonyl)-3,4-pyrrolidindicarboxamid [German] [ACD/IUPAC Name]
(3R,4R)-N-(3-Fluoro-4-methoxyphenyl)-N'-[2-fluoro-4-(2-oxo-1(2H)-pyridinyl)phenyl]-1-(methylsulfonyl)-3,4-pyrrolidinedicarboxamide [ACD/IUPAC Name]
(3R,4R)-N-(3-Fluoro-4-méthoxyphényl)-N'-[2-fluoro-4-(2-oxo-1(2H)-pyridinyl)phényl]-1-(méthylsulfonyl)-3,4-pyrrolidinedicarboxamide [French] [ACD/IUPAC Name]
3,4-Pyrrolidinedicarboxamide, N3-(3-fluoro-4-methoxyphenyl)-N4-[2-fluoro-4-(2-oxo-1(2H)-pyridinyl)phenyl]-1-(methylsulfonyl)-, (3R,4R)- [ACD/Index Name]
8NC

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: 1.656
Molar Refractivity: 133.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 1.12
ACD/LogD (pH 5.5): 1.08
ACD/BCF (pH 5.5): 3.87
ACD/KOC (pH 5.5): 91.64
ACD/LogD (pH 7.4): 1.08
ACD/BCF (pH 7.4): 3.87
ACD/KOC (pH 7.4): 91.64
Polar Surface Area: 134 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 68.7±5.0 dyne/cm
Molar Volume: 363.5±5.0 cm3

Click to predict properties on the Chemicalize site






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