ChemSpider 2D Image | 2,2'-(1,4-Piperazinediyldi-3,1-propanediyl)bis(1H-benzo[de]isoquinoline-1,3(2H)-dione) | C34H32N4O4

2,2'-(1,4-Piperazinediyldi-3,1-propanediyl)bis(1H-benzo[de]isoquinoline-1,3(2H)-dione)

  • Molecular FormulaC34H32N4O4
  • Average mass560.642 Da
  • Monoisotopic mass560.242371 Da
  • ChemSpider ID323218

More details:

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

1H-Benz[de]isoquinoline-1,3(2H)-dione, 2,2'-(1,4-piperazinediyldi-3,1-propanediyl)bis- [ACD/Index Name]
2-(3-{4-[3-(1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolin-2-yl)propyl]piperazino}propyl)-2,3-dihydro-1H-benzo[de]isoquinoline-1,3-dione
2,2'-(1,4-Piperazindiyldi-3,1-propandiyl)bis(1H-benzo[de]isochinolin-1,3(2H)-dion) [German] [ACD/IUPAC Name]
2,2'-(1,4-Pipérazinediyldi-3,1-propanediyl)bis(1H-benzo[de]isoquinoléine-1,3(2H)-dione) [French] [ACD/IUPAC Name]
2,2'-(1,4-Piperazinediyldi-3,1-propanediyl)bis(1H-benzo[de]isoquinoline-1,3(2H)-dione) [ACD/IUPAC Name]

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

CDS1_000786 [DBID]
DivK1c_001826 [DBID]
Maybridge1_005538 [DBID]
NCI60_009648 [DBID]
NSC629729 [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: 763.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.2±3.0 kJ/mol
Flash Point: 333.4±23.9 °C
Index of Refraction: 1.685
Molar Refractivity: 160.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.38
ACD/LogD (pH 5.5): 1.32
ACD/BCF (pH 5.5): 1.77
ACD/KOC (pH 5.5): 12.47
ACD/LogD (pH 7.4): 3.01
ACD/BCF (pH 7.4): 86.77
ACD/KOC (pH 7.4): 609.47
Polar Surface Area: 81 Å2
Polarizability: 63.6±0.5 10-24cm3
Surface Tension: 61.5±3.0 dyne/cm
Molar Volume: 422.2±3.0 cm3

Click to predict properties on the Chemicalize site


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