ChemSpider 2D Image | 5-{3-[4-(3-Chlorobenzyl)-1-piperazinyl]-3-oxopropyl}-5-[4-(methylsulfanyl)benzyl]-2-pyrrolidinone | C26H32ClN3O2S

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

  • Molecular FormulaC26H32ClN3O2S
  • Average mass486.069 Da
  • Monoisotopic mass485.190369 Da
  • ChemSpider ID22192485

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-(methylthio)phenyl]methyl]- [ACD/Index Name]
5-{3-[4-(3-Chlorbenzyl)-1-piperazinyl]-3-oxopropyl}-5-[4-(methylsulfanyl)benzyl]-2-pyrrolidinon [German] [ACD/IUPAC Name]
5-{3-[4-(3-Chlorobenzyl)-1-piperazinyl]-3-oxopropyl}-5-[4-(methylsulfanyl)benzyl]-2-pyrrolidinone [ACD/IUPAC Name]
5-{3-[4-(3-Chlorobenzyl)-1-pipérazinyl]-3-oxopropyl}-5-[4-(méthylsulfanyl)benzyl]-2-pyrrolidinone [French] [ACD/IUPAC Name]
5-{3-[4-(3-chlorobenzyl)-1-piperazinyl]-3-oxopropyl}-5-[4-(methylthio)benzyl]-2-pyrrolidinone

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

Density: 1.3±0.1 g/cm3
Boiling Point: 689.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.1±3.0 kJ/mol
Flash Point: 370.9±31.5 °C
Index of Refraction: 1.640
Molar Refractivity: 136.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.01
ACD/LogD (pH 5.5): 3.24
ACD/BCF (pH 5.5): 146.55
ACD/KOC (pH 5.5): 1020.60
ACD/LogD (pH 7.4): 3.53
ACD/BCF (pH 7.4): 284.02
ACD/KOC (pH 7.4): 1978.00
Polar Surface Area: 78 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 59.9±5.0 dyne/cm
Molar Volume: 379.2±5.0 cm3

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