ChemSpider 2D Image | 1-(4-Fluorobenzyl)-4-{3-[2-(4-fluorobenzyl)-5-oxo-2-pyrrolidinyl]propanoyl}-2-piperazinone | C25H27F2N3O3

1-(4-Fluorobenzyl)-4-{3-[2-(4-fluorobenzyl)-5-oxo-2-pyrrolidinyl]propanoyl}-2-piperazinone

  • Molecular FormulaC25H27F2N3O3
  • Average mass455.497 Da
  • Monoisotopic mass455.202057 Da
  • ChemSpider ID22169588

More details:

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

1-(4-Fluorbenzyl)-4-{3-[2-(4-fluorbenzyl)-5-oxo-2-pyrrolidinyl]propanoyl}-2-piperazinon [German] [ACD/IUPAC Name]
1-(4-Fluorobenzyl)-4-{3-[2-(4-fluorobenzyl)-5-oxo-2-pyrrolidinyl]propanoyl}-2-piperazinone [ACD/IUPAC Name]
1-(4-Fluorobenzyl)-4-{3-[2-(4-fluorobenzyl)-5-oxo-2-pyrrolidinyl]propanoyl}-2-pipérazinone [French] [ACD/IUPAC Name]
2-Piperazinone, 1-[(4-fluorophenyl)methyl]-4-[3-[2-[(4-fluorophenyl)methyl]-5-oxo-2-pyrrolidinyl]-1-oxopropyl]- [ACD/Index Name]
1-[(4-FLUOROPHENYL)METHYL]-4-(3-{2-[(4-FLUOROPHENYL)METHYL]-5-OXOPYRROLIDIN-2-YL}PROPANOYL)PIPERAZIN-2-ONE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 719.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.1±3.0 kJ/mol
Flash Point: 388.8±32.9 °C
Index of Refraction: 1.580
Molar Refractivity: 117.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.29
ACD/LogD (pH 5.5): 2.39
ACD/BCF (pH 5.5): 38.41
ACD/KOC (pH 5.5): 474.01
ACD/LogD (pH 7.4): 2.39
ACD/BCF (pH 7.4): 38.41
ACD/KOC (pH 7.4): 474.01
Polar Surface Area: 70 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 51.4±3.0 dyne/cm
Molar Volume: 353.6±3.0 cm3

Click to predict properties on the Chemicalize site


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