ChemSpider 2D Image | 4-(4-{[1-(4-Methoxyphenyl)cyclopentyl]carbonyl}-1-piperazinyl)-2-(4-pyridinylmethyl)-1H-isoindole-1,3(2H)-dione | C31H32N4O4

4-(4-{[1-(4-Methoxyphenyl)cyclopentyl]carbonyl}-1-piperazinyl)-2-(4-pyridinylmethyl)-1H-isoindole-1,3(2H)-dione

  • Molecular FormulaC31H32N4O4
  • Average mass524.610 Da
  • Monoisotopic mass524.242371 Da
  • ChemSpider ID22243017

More details:






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

1H-Isoindole-1,3(2H)-dione, 4-[4-[[1-(4-methoxyphenyl)cyclopentyl]carbonyl]-1-piperazinyl]-2-(4-pyridinylmethyl)- [ACD/Index Name]
4-(4-{[1-(4-Methoxyphenyl)cyclopentyl]carbonyl}-1-piperazinyl)-2-(4-pyridinylmethyl)-1H-isoindol-1,3(2H)-dion [German] [ACD/IUPAC Name]
4-(4-{[1-(4-Methoxyphenyl)cyclopentyl]carbonyl}-1-piperazinyl)-2-(4-pyridinylmethyl)-1H-isoindole-1,3(2H)-dione [ACD/IUPAC Name]
4-(4-{[1-(4-Méthoxyphényl)cyclopentyl]carbonyl}-1-pipérazinyl)-2-(4-pyridinylméthyl)-1H-isoindole-1,3(2H)-dione [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 747.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.0±3.0 kJ/mol
Flash Point: 406.0±32.9 °C
Index of Refraction: 1.647
Molar Refractivity: 145.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.58
ACD/LogD (pH 5.5): 3.33
ACD/BCF (pH 5.5): 187.56
ACD/KOC (pH 5.5): 1373.50
ACD/LogD (pH 7.4): 3.43
ACD/BCF (pH 7.4): 240.06
ACD/KOC (pH 7.4): 1757.90
Polar Surface Area: 83 Å2
Polarizability: 57.6±0.5 10-24cm3
Surface Tension: 62.6±3.0 dyne/cm
Molar Volume: 400.1±3.0 cm3

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