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Search term: 78436527 (Found by CSID)
ChemSpider 2D Image | 3-[(2S,5R)-5-Benzyl-3,6-dioxo-2-piperazinyl]-N-(2-phenylethyl)propanamide | C22H25N3O3

3-[(2S,5R)-5-Benzyl-3,6-dioxo-2-piperazinyl]-N-(2-phenylethyl)propanamide

  • Molecular FormulaC22H25N3O3
  • Average mass379.452 Da
  • Monoisotopic mass379.189606 Da
  • ChemSpider ID78436527

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-Piperazinepropanamide, 3,6-dioxo-N-(2-phenylethyl)-5-(phenylmethyl)-, (2S,5R)- [ACD/Index Name]
3-[(2S,5R)-5-Benzyl-3,6-dioxo-2-piperazinyl]-N-(2-phenylethyl)propanamid [German] [ACD/IUPAC Name]
3-[(2S,5R)-5-Benzyl-3,6-dioxo-2-piperazinyl]-N-(2-phenylethyl)propanamide [ACD/IUPAC Name]
3-[(2S,5R)-5-Benzyl-3,6-dioxo-2-pipérazinyl]-N-(2-phényléthyl)propanamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 748.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.1±3.0 kJ/mol
Flash Point: 261.2±31.7 °C
Index of Refraction: 1.568
Molar Refractivity: 105.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.08
ACD/LogD (pH 5.5): 1.75
ACD/BCF (pH 5.5): 12.50
ACD/KOC (pH 5.5): 212.22
ACD/LogD (pH 7.4): 1.75
ACD/BCF (pH 7.4): 12.50
ACD/KOC (pH 7.4): 212.21
Polar Surface Area: 87 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 46.5±3.0 dyne/cm
Molar Volume: 323.5±3.0 cm3

Click to predict properties on the Chemicalize site


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