ChemSpider 2D Image | 5-{3-[4-(3-Chlorobenzyl)-1-piperazinyl]-3-oxopropyl}-5-(4-methylbenzyl)-2-pyrrolidinone | C26H32ClN3O2

5-{3-[4-(3-Chlorobenzyl)-1-piperazinyl]-3-oxopropyl}-5-(4-methylbenzyl)-2-pyrrolidinone

  • Molecular FormulaC26H32ClN3O2
  • Average mass454.004 Da
  • Monoisotopic mass453.218292 Da
  • ChemSpider ID22189946

More details:

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

2-Pyrrolidinone, 5-[3-[4-[(3-chlorophenyl)methyl]-1-piperazinyl]-3-oxopropyl]-5-[(4-methylphenyl)methyl]- [ACD/Index Name]
5-{3-[4-(3-Chlorbenzyl)-1-piperazinyl]-3-oxopropyl}-5-(4-methylbenzyl)-2-pyrrolidinon [German] [ACD/IUPAC Name]
5-{3-[4-(3-Chlorobenzyl)-1-piperazinyl]-3-oxopropyl}-5-(4-methylbenzyl)-2-pyrrolidinone [ACD/IUPAC Name]
5-{3-[4-(3-Chlorobenzyl)-1-pipérazinyl]-3-oxopropyl}-5-(4-méthylbenzyl)-2-pyrrolidinone [French] [ACD/IUPAC Name]
5-(3-{4-[(3-CHLOROPHENYL)METHYL]PIPERAZIN-1-YL}-3-OXOPROPYL)-5-[(4-METHYLPHENYL)METHYL]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: 653.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.3±3.0 kJ/mol
Flash Point: 349.2±31.5 °C
Index of Refraction: 1.591
Molar Refractivity: 127.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.98
ACD/LogD (pH 5.5): 3.62
ACD/BCF (pH 5.5): 280.09
ACD/KOC (pH 5.5): 1622.33
ACD/LogD (pH 7.4): 3.90
ACD/BCF (pH 7.4): 543.21
ACD/KOC (pH 7.4): 3146.31
Polar Surface Area: 53 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 50.0±3.0 dyne/cm
Molar Volume: 376.9±3.0 cm3

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