ChemSpider 2D Image | 5-(4-Fluoro-3-methoxybenzyl)-5-{3-[4-(2-methoxybenzoyl)-1-piperazinyl]-3-oxopropyl}-2-pyrrolidinone | C27H32FN3O5

5-(4-Fluoro-3-methoxybenzyl)-5-{3-[4-(2-methoxybenzoyl)-1-piperazinyl]-3-oxopropyl}-2-pyrrolidinone

  • Molecular FormulaC27H32FN3O5
  • Average mass497.559 Da
  • Monoisotopic mass497.232605 Da
  • ChemSpider ID22131455

More details:

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

2-Pyrrolidinone, 5-[(4-fluoro-3-methoxyphenyl)methyl]-5-[3-[4-(2-methoxybenzoyl)-1-piperazinyl]-3-oxopropyl]- [ACD/Index Name]
5-(4-Fluor-3-methoxybenzyl)-5-{3-[4-(2-methoxybenzoyl)-1-piperazinyl]-3-oxopropyl}-2-pyrrolidinon [German] [ACD/IUPAC Name]
5-(4-Fluoro-3-methoxybenzyl)-5-{3-[4-(2-methoxybenzoyl)-1-piperazinyl]-3-oxopropyl}-2-pyrrolidinone [ACD/IUPAC Name]
5-(4-Fluoro-3-méthoxybenzyl)-5-{3-[4-(2-méthoxybenzoyl)-1-pipérazinyl]-3-oxopropyl}-2-pyrrolidinone [French] [ACD/IUPAC Name]
5-[(4-FLUORO-3-METHOXYPHENYL)METHYL]-5-{3-[4-(2-METHOXYBENZOYL)PIPERAZIN-1-YL]-3-OXOPROPYL}PYRROLIDIN-2-ONE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 751.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.5±3.0 kJ/mol
Flash Point: 408.2±32.9 °C
Index of Refraction: 1.572
Molar Refractivity: 131.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.70
ACD/LogD (pH 5.5): 1.96
ACD/BCF (pH 5.5): 18.17
ACD/KOC (pH 5.5): 277.40
ACD/LogD (pH 7.4): 1.96
ACD/BCF (pH 7.4): 18.17
ACD/KOC (pH 7.4): 277.40
Polar Surface Area: 88 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 48.9±3.0 dyne/cm
Molar Volume: 399.6±3.0 cm3

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