ChemSpider 2D Image | 2-{2-[4-(2-Methoxyphenyl)-1-piperazinyl]-2-oxoethyl}-3-[1-methyl-2-(4-methylphenyl)-1H-indol-3-yl]-1-isoindolinone | C37H36N4O3

2-{2-[4-(2-Methoxyphenyl)-1-piperazinyl]-2-oxoethyl}-3-[1-methyl-2-(4-methylphenyl)-1H-indol-3-yl]-1-isoindolinone

  • Molecular FormulaC37H36N4O3
  • Average mass584.707 Da
  • Monoisotopic mass584.278748 Da
  • ChemSpider ID2855692

More details:

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

1H-Isoindol-1-one, 2,3-dihydro-2-[2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]-3-[1-methyl-2-(4-methylphenyl)-1H-indol-3-yl]- [ACD/Index Name]
2-{2-[4-(2-Methoxyphenyl)-1-piperazinyl]-2-oxoethyl}-3-[1-methyl-2-(4-methylphenyl)-1H-indol-3-yl]-1-isoindolinon [German] [ACD/IUPAC Name]
2-{2-[4-(2-Methoxyphenyl)-1-piperazinyl]-2-oxoethyl}-3-[1-methyl-2-(4-methylphenyl)-1H-indol-3-yl]-1-isoindolinone [ACD/IUPAC Name]
2-{2-[4-(2-Méthoxyphényl)-1-pipérazinyl]-2-oxoéthyl}-3-[1-méthyl-2-(4-méthylphényl)-1H-indol-3-yl]-1-isoindolinone [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 800.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.4±3.0 kJ/mol
Flash Point: 437.8±34.3 °C
Index of Refraction: 1.662
Molar Refractivity: 173.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.37
ACD/LogD (pH 5.5): 5.32
ACD/BCF (pH 5.5): 6492.09
ACD/KOC (pH 5.5): 18634.78
ACD/LogD (pH 7.4): 5.32
ACD/BCF (pH 7.4): 6501.04
ACD/KOC (pH 7.4): 18660.45
Polar Surface Area: 58 Å2
Polarizability: 68.8±0.5 10-24cm3
Surface Tension: 49.4±7.0 dyne/cm
Molar Volume: 469.1±7.0 cm3

Click to predict properties on the Chemicalize site


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