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Search term: XRLBMCYRFQCIGI (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 1,4-Piperazinediylbis{[1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl]methanone} | C46H56N4O10

1,4-Piperazinediylbis{[1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl]methanone}

  • Molecular FormulaC46H56N4O10
  • Average mass824.958 Da
  • Monoisotopic mass824.399658 Da
  • ChemSpider ID8615898

More details:






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

1,4-Piperazindiylbis{[1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-3,4-dihydro-2(1H)-isochinolinyl]methanon} [German] [ACD/IUPAC Name]
1,4-Pipérazinediylbis{[1-(3,4-diméthoxybenzyl)-6,7-diméthoxy-3,4-dihydro-2(1H)-isoquinoléinyl]méthanone} [French] [ACD/IUPAC Name]
1,4-Piperazinediylbis{[1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl]methanone} [ACD/IUPAC Name]
Methanone, 1,1'-(1,4-piperazinediyl)bis[1-[1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 882.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 128.3±3.0 kJ/mol
Flash Point: 487.8±34.3 °C
Index of Refraction: 1.595
Molar Refractivity: 226.5±0.3 cm3
#H bond acceptors: 14
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 6.84
ACD/LogD (pH 5.5): 6.14
ACD/BCF (pH 5.5): 27259.25
ACD/KOC (pH 5.5): 52023.82
ACD/LogD (pH 7.4): 6.14
ACD/BCF (pH 7.4): 27329.83
ACD/KOC (pH 7.4): 52158.52
Polar Surface Area: 121 Å2
Polarizability: 89.8±0.5 10-24cm3
Surface Tension: 50.3±3.0 dyne/cm
Molar Volume: 666.5±3.0 cm3

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