ChemSpider 2D Image | 4-(4-{[4-(2-Ethoxyphenyl)-1-piperazinyl]carbonyl}-1-piperidinyl)-2-(2-pyridinylmethyl)-1H-isoindole-1,3(2H)-dione | C32H35N5O4

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

  • Molecular FormulaC32H35N5O4
  • Average mass553.651 Da
  • Monoisotopic mass553.268921 Da
  • ChemSpider ID22142277

More details:

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

1H-Isoindole-1,3(2H)-dione, 4-[4-[[4-(2-ethoxyphenyl)-1-piperazinyl]carbonyl]-1-piperidinyl]-2-(2-pyridinylmethyl)- [ACD/Index Name]
4-(4-{[4-(2-Ethoxyphenyl)-1-piperazinyl]carbonyl}-1-piperidinyl)-2-(2-pyridinylmethyl)-1H-isoindol-1,3(2H)-dion [German] [ACD/IUPAC Name]
4-(4-{[4-(2-Ethoxyphenyl)-1-piperazinyl]carbonyl}-1-piperidinyl)-2-(2-pyridinylmethyl)-1H-isoindole-1,3(2H)-dione [ACD/IUPAC Name]
4-(4-{[4-(2-Éthoxyphényl)-1-pipérazinyl]carbonyl}-1-pipéridinyl)-2-(2-pyridinylméthyl)-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: 771.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.3±3.0 kJ/mol
Flash Point: 420.2±32.9 °C
Index of Refraction: 1.639
Molar Refractivity: 153.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.13
ACD/LogD (pH 5.5): 3.23
ACD/BCF (pH 5.5): 163.69
ACD/KOC (pH 5.5): 1310.06
ACD/LogD (pH 7.4): 3.26
ACD/BCF (pH 7.4): 176.07
ACD/KOC (pH 7.4): 1409.15
Polar Surface Area: 86 Å2
Polarizability: 60.9±0.5 10-24cm3
Surface Tension: 61.0±3.0 dyne/cm
Molar Volume: 426.9±3.0 cm3

Click to predict properties on the Chemicalize site


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