ChemSpider 2D Image | beta-Phenyl-N-sulfamoyl-D-phenylalanyl-N-(4-carbamimidoyl-2-fluorobenzyl)-L-prolinamide | C28H31FN6O4S

β-Phenyl-N-sulfamoyl-D-phenylalanyl-N-(4-carbamimidoyl-2-fluorobenzyl)-L-prolinamide

  • Molecular FormulaC28H31FN6O4S
  • Average mass566.647 Da
  • Monoisotopic mass566.211182 Da
  • ChemSpider ID8478781

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

L-Prolinamide, N-(aminosulfonyl)-β-phenyl-D-phenylalanyl-N-[[4-[(Z)-aminoiminomethyl]-2-fluorophenyl]methyl]- [ACD/Index Name]
β-Phenyl-N-sulfamoyl-D-phenylalanyl-N-(4-carbamimidoyl-2-fluorbenzyl)-L-prolinamid [German] [ACD/IUPAC Name]
β-Phenyl-N-sulfamoyl-D-phenylalanyl-N-(4-carbamimidoyl-2-fluorobenzyl)-L-prolinamide [ACD/IUPAC Name]
β-Phényl-N-sulfamoyl-D-phénylalanyl-N-(4-carbamimidoyl-2-fluorobenzyl)-L-prolinamide [French] [ACD/IUPAC Name]
1-(2-sulfonamideamino-3,3-diphenyl-propionyl)-pyrrolidine-2-carboxylic acid 4-carbamimidoyl-2-fluoro-benzylamide
CHEMBL121212

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.672
Molar Refractivity: 148.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 2.21
ACD/LogD (pH 5.5): 0.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.63
ACD/LogD (pH 7.4): 0.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.80
Polar Surface Area: 180 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 59.9±7.0 dyne/cm
Molar Volume: 396.8±7.0 cm3

Click to predict properties on the Chemicalize site


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