ChemSpider 2D Image | beta-Phenyl-N-sulfamoyl-D-phenylalanyl-N-(4-carbamimidoyl-3-fluorobenzyl)-L-prolinamide | C28H31FN6O4S

β-Phenyl-N-sulfamoyl-D-phenylalanyl-N-(4-carbamimidoyl-3-fluorobenzyl)-L-prolinamide

  • Molecular FormulaC28H31FN6O4S
  • Average mass566.647 Da
  • Monoisotopic mass566.211182 Da
  • ChemSpider ID8363554

  • 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]-3-fluorophenyl]methyl]- [ACD/Index Name]
β-Phenyl-N-sulfamoyl-D-phenylalanyl-N-(4-carbamimidoyl-3-fluorbenzyl)-L-prolinamid [German] [ACD/IUPAC Name]
β-Phenyl-N-sulfamoyl-D-phenylalanyl-N-(4-carbamimidoyl-3-fluorobenzyl)-L-prolinamide [ACD/IUPAC Name]
β-Phényl-N-sulfamoyl-D-phénylalanyl-N-(4-carbamimidoyl-3-fluorobenzyl)-L-prolinamide [French] [ACD/IUPAC Name]
1-(2-sulfonamideamino-3,3-diphenyl-propionyl)-pyrrolidine-2-carboxylic acid 4-carbamimidoyl-3-fluoro-benzylamide
CHEMBL331847
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL331847/

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: 1.59
ACD/LogD (pH 5.5): 0.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.91
ACD/LogD (pH 7.4): 0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.98
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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