ChemSpider 2D Image | 2-(2,4-Dimethoxybenzyl)-4-(4-{[4-(4-methylphenyl)-1-piperazinyl]carbonyl}-1-piperidinyl)-1H-isoindole-1,3(2H)-dione | C34H38N4O5

2-(2,4-Dimethoxybenzyl)-4-(4-{[4-(4-methylphenyl)-1-piperazinyl]carbonyl}-1-piperidinyl)-1H-isoindole-1,3(2H)-dione

  • Molecular FormulaC34H38N4O5
  • Average mass582.689 Da
  • Monoisotopic mass582.284241 Da
  • ChemSpider ID22185812

More details:

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

1H-Isoindole-1,3(2H)-dione, 2-[(2,4-dimethoxyphenyl)methyl]-4-[4-[[4-(4-methylphenyl)-1-piperazinyl]carbonyl]-1-piperidinyl]- [ACD/Index Name]
2-(2,4-Dimethoxybenzyl)-4-(4-{[4-(4-methylphenyl)-1-piperazinyl]carbonyl}-1-piperidinyl)-1H-isoindol-1,3(2H)-dion [German] [ACD/IUPAC Name]
2-(2,4-Dimethoxybenzyl)-4-(4-{[4-(4-methylphenyl)-1-piperazinyl]carbonyl}-1-piperidinyl)-1H-isoindole-1,3(2H)-dione [ACD/IUPAC Name]
2-(2,4-Diméthoxybenzyl)-4-(4-{[4-(4-méthylphényl)-1-pipérazinyl]carbonyl}-1-pipéridinyl)-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: 1.3±0.1 g/cm3
Boiling Point: 793.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.4±3.0 kJ/mol
Flash Point: 433.6±32.9 °C
Index of Refraction: 1.628
Molar Refractivity: 162.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.25
ACD/LogD (pH 5.5): 4.36
ACD/BCF (pH 5.5): 1213.58
ACD/KOC (pH 5.5): 5588.57
ACD/LogD (pH 7.4): 4.37
ACD/BCF (pH 7.4): 1231.91
ACD/KOC (pH 7.4): 5672.99
Polar Surface Area: 83 Å2
Polarizability: 64.4±0.5 10-24cm3
Surface Tension: 56.5±3.0 dyne/cm
Molar Volume: 457.5±3.0 cm3

Click to predict properties on the Chemicalize site


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