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

(3R,4R)-N-(4-Chlorophenyl)-N'-[2-fluoro-4-(2-oxo-1(2H)-pyridinyl)phenyl]-1-sulfamoyl-3,4-pyrrolidinedicarboxamide

  • Molecular FormulaC23H21ClFN5O5S
  • Average mass533.960 Da
  • Monoisotopic mass533.093567 Da
  • ChemSpider ID9960609

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3r,4r)-1-Sulfamoyl-Pyrrolidine-3,4-Dicarboxylic Acid 3-[(4-Chloro-Phenyl)-Amide] 4-{[2-Fluoro-4-(2-Oxo-2h-Pyridin-1-Yl)-Phenyl]-Amide}
(3R,4R)-N-(4-Chlorophenyl)-N'-[2-fluoro-4-(2-oxo-1(2H)-pyridinyl)phenyl]-1-sulfamoyl-3,4-pyrrolidinedicarboxamide [ACD/IUPAC Name]
(3R,4R)-N-(4-Chlorophényl)-N'-[2-fluoro-4-(2-oxo-1(2H)-pyridinyl)phényl]-1-sulfamoyl-3,4-pyrrolidinedicarboxamide [French] [ACD/IUPAC Name]
(3R,4R)-N-(4-Chlorphenyl)-N'-[2-fluor-4-(2-oxo-1(2H)-pyridinyl)phenyl]-1-sulfamoyl-3,4-pyrrolidindicarboxamid [German] [ACD/IUPAC Name]
3,4-Pyrrolidinedicarboxamide, 1-(aminosulfonyl)-N3-(4-chlorophenyl)-N4-[2-fluoro-4-(2-oxo-1(2H)-pyridinyl)phenyl]-, (3R,4R)- [ACD/Index Name]

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

455 [DBID]

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: 1.708
Molar Refractivity: 130.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 0.03
ACD/LogD (pH 5.5): 0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 29.27
ACD/LogD (pH 7.4): 0.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 29.27
Polar Surface Area: 150 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 81.1±5.0 dyne/cm
Molar Volume: 335.6±5.0 cm3

Click to predict properties on the Chemicalize site


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