ChemSpider 2D Image | 2-(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)-4-{3-[(4-phenyl-1-piperazinyl)carbonyl]-1-piperidinyl}-1H-isoindole-1,3(2H)-dione | C33H34N4O5

2-(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)-4-{3-[(4-phenyl-1-piperazinyl)carbonyl]-1-piperidinyl}-1H-isoindole-1,3(2H)-dione

  • Molecular FormulaC33H34N4O5
  • Average mass566.647 Da
  • Monoisotopic mass566.252930 Da
  • ChemSpider ID22193121

More details:

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

1H-Isoindole-1,3(2H)-dione, 2-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-4-[3-[(4-phenyl-1-piperazinyl)carbonyl]-1-piperidinyl]- [ACD/Index Name]
2-(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)-4-{3-[(4-phenyl-1-piperazinyl)carbonyl]-1-piperidinyl}-1H-isoindol-1,3(2H)-dion [German] [ACD/IUPAC Name]
2-(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)-4-{3-[(4-phenyl-1-piperazinyl)carbonyl]-1-piperidinyl}-1H-isoindole-1,3(2H)-dione [ACD/IUPAC Name]
2-(2,3-Dihydro-1,4-benzodioxin-2-ylméthyl)-4-{3-[(4-phényl-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: 772.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.4±3.0 kJ/mol
Flash Point: 420.8±32.9 °C
Index of Refraction: 1.645
Molar Refractivity: 154.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.91
ACD/LogD (pH 5.5): 3.57
ACD/BCF (pH 5.5): 302.34
ACD/KOC (pH 5.5): 2071.99
ACD/LogD (pH 7.4): 3.57
ACD/BCF (pH 7.4): 304.17
ACD/KOC (pH 7.4): 2084.53
Polar Surface Area: 83 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 59.7±3.0 dyne/cm
Molar Volume: 426.9±3.0 cm3

Click to predict properties on the Chemicalize site


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