ChemSpider 2D Image | 2-{4-[3,4-Bis(benzyloxy)benzyl]-1-piperazinyl}-N'-{(Z)-[3,5-bis(2-methyl-2-propanyl)-6-oxo-2,4-cyclohexadien-1-ylidene]methyl}acetohydrazide | C42H52N4O4

2-{4-[3,4-Bis(benzyloxy)benzyl]-1-piperazinyl}-N'-{(Z)-[3,5-bis(2-methyl-2-propanyl)-6-oxo-2,4-cyclohexadien-1-ylidene]methyl}acetohydrazide

  • Molecular FormulaC42H52N4O4
  • Average mass676.887 Da
  • Monoisotopic mass676.398865 Da
  • ChemSpider ID10171749

  • Double-bond stereo - Double-bond stereo

More details:

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

1-Piperazineacetic acid, 4-[[3,4-bis(phenylmethoxy)phenyl]methyl]-, 2-[(Z)-[3,5-bis(1,1-dimethylethyl)-6-oxo-2,4-cyclohexadien-1-ylidene]methyl]hydrazide [ACD/Index Name]
2-{4-[3,4-Bis(benzyloxy)benzyl]-1-piperazinyl}-N'-{(Z)-[3,5-bis(2-methyl-2-propanyl)-6-oxo-2,4-cyclohexadien-1-yliden]methyl}acetohydrazid [German] [ACD/IUPAC Name]
2-{4-[3,4-Bis(benzyloxy)benzyl]-1-piperazinyl}-N'-{(Z)-[3,5-bis(2-methyl-2-propanyl)-6-oxo-2,4-cyclohexadien-1-ylidene]methyl}acetohydrazide [ACD/IUPAC Name]
2-{4-[3,4-Bis(benzyloxy)benzyl]-1-pipérazinyl}-N'-{(Z)-[3,5-bis(2-méthyl-2-propanyl)-6-oxo-2,4-cyclohexadién-1-ylidène]méthyl}acétohydrazide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 749.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.2±3.0 kJ/mol
Flash Point: 406.9±32.9 °C
Index of Refraction: 1.612
Molar Refractivity: 201.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 7.67
ACD/LogD (pH 5.5): 5.37
ACD/BCF (pH 5.5): 4237.88
ACD/KOC (pH 5.5): 7428.01
ACD/LogD (pH 7.4): 6.27
ACD/BCF (pH 7.4): 33593.12
ACD/KOC (pH 7.4): 58880.94
Polar Surface Area: 83 Å2
Polarizability: 79.8±0.5 10-24cm3
Surface Tension: 52.1±3.0 dyne/cm
Molar Volume: 578.8±3.0 cm3

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