ChemSpider 2D Image | 2-(2-Chlorobenzyl)-4-[4-(3,4-difluorobenzyl)-1-piperazinyl]-1H-isoindole-1,3(2H)-dione | C26H22ClF2N3O2

2-(2-Chlorobenzyl)-4-[4-(3,4-difluorobenzyl)-1-piperazinyl]-1H-isoindole-1,3(2H)-dione

  • Molecular FormulaC26H22ClF2N3O2
  • Average mass481.922 Da
  • Monoisotopic mass481.136871 Da
  • ChemSpider ID23070325

More details:

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

1H-Isoindole-1,3(2H)-dione, 2-[(2-chlorophenyl)methyl]-4-[4-[(3,4-difluorophenyl)methyl]-1-piperazinyl]- [ACD/Index Name]
2-(2-Chlorbenzyl)-4-[4-(3,4-difluorbenzyl)-1-piperazinyl]-1H-isoindol-1,3(2H)-dion [German] [ACD/IUPAC Name]
2-(2-Chlorobenzyl)-4-[4-(3,4-difluorobenzyl)-1-piperazinyl]-1H-isoindole-1,3(2H)-dione [ACD/IUPAC Name]
2-(2-Chlorobenzyl)-4-[4-(3,4-difluorobenzyl)-1-pipérazinyl]-1H-isoindole-1,3(2H)-dione [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 609.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.6±3.0 kJ/mol
Flash Point: 322.5±31.5 °C
Index of Refraction: 1.647
Molar Refractivity: 124.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.02
ACD/LogD (pH 5.5): 4.42
ACD/BCF (pH 5.5): 1189.36
ACD/KOC (pH 5.5): 4816.11
ACD/LogD (pH 7.4): 4.62
ACD/BCF (pH 7.4): 1921.96
ACD/KOC (pH 7.4): 7782.64
Polar Surface Area: 44 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 59.0±3.0 dyne/cm
Molar Volume: 342.9±3.0 cm3

Click to predict properties on the Chemicalize site


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