ChemSpider 2D Image | beta-Phenylphenylalanyl-N-(2,5-dichlorobenzyl)-L-prolinamide | C27H27Cl2N3O2

β-Phenylphenylalanyl-N-(2,5-dichlorobenzyl)-L-prolinamide

  • Molecular FormulaC27H27Cl2N3O2
  • Average mass496.428 Da
  • Monoisotopic mass495.148041 Da
  • ChemSpider ID23194267

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

L-Prolinamide, β-phenylphenylalanyl-N-[(2,5-dichlorophenyl)methyl]- [ACD/Index Name]
β-Phenylphenylalanyl-N-(2,5-dichlorbenzyl)-L-prolinamid [German] [ACD/IUPAC Name]
β-Phenylphenylalanyl-N-(2,5-dichlorobenzyl)-L-prolinamide [ACD/IUPAC Name]
β-Phénylphénylalanyl-N-(2,5-dichlorobenzyl)-L-prolinamide [French] [ACD/IUPAC Name]
(S)-1-(2-Amino-3,3-diphenyl-propionyl)-pyrrolidine-2-carboxylic acid 2,5-dichloro-benzylamide
CHEMBL108183

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

Density: 1.3±0.1 g/cm3
Boiling Point: 733.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.1±3.0 kJ/mol
Flash Point: 397.5±32.9 °C
Index of Refraction: 1.629
Molar Refractivity: 135.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.30
ACD/LogD (pH 5.5): 3.39
ACD/BCF (pH 5.5): 95.16
ACD/KOC (pH 5.5): 334.80
ACD/LogD (pH 7.4): 4.76
ACD/BCF (pH 7.4): 2239.90
ACD/KOC (pH 7.4): 7880.49
Polar Surface Area: 75 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 56.8±3.0 dyne/cm
Molar Volume: 380.8±3.0 cm3

Click to predict properties on the Chemicalize site


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