ChemSpider 2D Image | 2-{1-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-1-oxo-3-phenyl-2-propanyl}hexahydro-1H-isoindole-1,3(2H)-dione | C29H33N3O5

2-{1-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-1-oxo-3-phenyl-2-propanyl}hexahydro-1H-isoindole-1,3(2H)-dione

  • Molecular FormulaC29H33N3O5
  • Average mass503.589 Da
  • Monoisotopic mass503.242035 Da
  • ChemSpider ID2185619

More details:

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

1H-Isoindole-1,3(2H)-dione, 2-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-oxo-1-(phenylmethyl)ethyl]hexahydro- [ACD/Index Name]
2-{1-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-1-oxo-3-phenyl-2-propanyl}hexahydro-1H-isoindol-1,3(2H)-dion [German] [ACD/IUPAC Name]
2-{1-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-1-oxo-3-phenyl-2-propanyl}hexahydro-1H-isoindole-1,3(2H)-dione [ACD/IUPAC Name]
2-{1-[4-(1,3-Benzodioxol-5-ylméthyl)-1-pipérazinyl]-1-oxo-3-phényl-2-propanyl}hexahydro-1H-isoindole-1,3(2H)-dione [French] [ACD/IUPAC Name]
2-{1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl}hexahydro-1H-isoindole-1,3(2H)-dione
2-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
2-{2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-benzyl-2-oxoethyl}hexahydro-1H-isoindole-1,3(2H)-dione
459147-45-6 [RN]

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

ChemDiv1_010509 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 733.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.0±3.0 kJ/mol
Flash Point: 397.1±32.9 °C
Index of Refraction: 1.623
Molar Refractivity: 135.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.85
ACD/LogD (pH 5.5): 3.06
ACD/BCF (pH 5.5): 101.46
ACD/KOC (pH 5.5): 741.61
ACD/LogD (pH 7.4): 3.43
ACD/BCF (pH 7.4): 238.29
ACD/KOC (pH 7.4): 1741.78
Polar Surface Area: 79 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 58.6±3.0 dyne/cm
Molar Volume: 385.3±3.0 cm3

Click to predict properties on the Chemicalize site


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