ChemSpider 2D Image | (3R,4R)-N-(4-Chlorophenyl)-N'-[2-fluoro-4-(6-oxo-1(6H)-pyrimidinyl)phenyl]-1-(methylsulfonyl)-3,4-pyrrolidinedicarboxamide | C23H21ClFN5O5S

(3R,4R)-N-(4-Chlorophenyl)-N'-[2-fluoro-4-(6-oxo-1(6H)-pyrimidinyl)phenyl]-1-(methylsulfonyl)-3,4-pyrrolidinedicarboxamide

  • Molecular FormulaC23H21ClFN5O5S
  • Average mass533.960 Da
  • Monoisotopic mass533.093567 Da
  • ChemSpider ID9401452

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4R)-N-(4-Chlorophenyl)-N'-[2-fluoro-4-(6-oxo-1(6H)-pyrimidinyl)phenyl]-1-(methylsulfonyl)-3,4-pyrrolidinedicarboxamide [ACD/IUPAC Name]
(3R,4R)-N-(4-Chlorophényl)-N'-[2-fluoro-4-(6-oxo-1(6H)-pyrimidinyl)phényl]-1-(méthylsulfonyl)-3,4-pyrrolidinedicarboxamide [French] [ACD/IUPAC Name]
(3R,4R)-N-(4-Chlorphenyl)-N'-[2-fluor-4-(6-oxo-1(6H)-pyrimidinyl)phenyl]-1-(methylsulfonyl)-3,4-pyrrolidindicarboxamid [German] [ACD/IUPAC Name]
3,4-Pyrrolidinedicarboxamide, N3-(4-chlorophenyl)-N4-[2-fluoro-4-(6-oxo-1(6H)-pyrimidinyl)phenyl]-1-(methylsulfonyl)-, (3R,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: 1.685
Molar Refractivity: 132.0±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.22
ACD/LogD (pH 5.5): 1.12
ACD/BCF (pH 5.5): 4.14
ACD/KOC (pH 5.5): 96.28
ACD/LogD (pH 7.4): 1.12
ACD/BCF (pH 7.4): 4.14
ACD/KOC (pH 7.4): 96.28
Polar Surface Area: 137 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 60.8±7.0 dyne/cm
Molar Volume: 347.5±7.0 cm3

Click to predict properties on the Chemicalize site


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