ChemSpider 2D Image | 4-{3-[2-(4-Fluoro-3-methoxybenzyl)-5-oxo-2-pyrrolidinyl]propanoyl}-1-(3-methoxyphenyl)-2-piperazinone | C26H30FN3O5

4-{3-[2-(4-Fluoro-3-methoxybenzyl)-5-oxo-2-pyrrolidinyl]propanoyl}-1-(3-methoxyphenyl)-2-piperazinone

  • Molecular FormulaC26H30FN3O5
  • Average mass483.532 Da
  • Monoisotopic mass483.216949 Da
  • ChemSpider ID22137862

More details:






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

2-Piperazinone, 4-[3-[2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxo-2-pyrrolidinyl]-1-oxopropyl]-1-(3-methoxyphenyl)- [ACD/Index Name]
4-{3-[2-(4-Fluor-3-methoxybenzyl)-5-oxo-2-pyrrolidinyl]propanoyl}-1-(3-methoxyphenyl)-2-piperazinon [German] [ACD/IUPAC Name]
4-{3-[2-(4-Fluoro-3-methoxybenzyl)-5-oxo-2-pyrrolidinyl]propanoyl}-1-(3-methoxyphenyl)-2-piperazinone [ACD/IUPAC Name]
4-{3-[2-(4-Fluoro-3-méthoxybenzyl)-5-oxo-2-pyrrolidinyl]propanoyl}-1-(3-méthoxyphényl)-2-pipérazinone [French] [ACD/IUPAC Name]
4-(3-{2-[(4-FLUORO-3-METHOXYPHENYL)METHYL]-5-OXOPYRROLIDIN-2-YL}PROPANOYL)-1-(3-METHOXYPHENYL)PIPERAZIN-2-ONE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 789.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 114.8±3.0 kJ/mol
Flash Point: 431.0±32.9 °C
Index of Refraction: 1.573
Molar Refractivity: 126.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.06
ACD/LogD (pH 5.5): 2.39
ACD/BCF (pH 5.5): 38.61
ACD/KOC (pH 5.5): 475.75
ACD/LogD (pH 7.4): 2.39
ACD/BCF (pH 7.4): 38.61
ACD/KOC (pH 7.4): 475.75
Polar Surface Area: 88 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 49.5±3.0 dyne/cm
Molar Volume: 383.2±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement