ChemSpider 2D Image | 3,4,5-Tris(benzyloxy)-N'-[(3-methoxy-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]benzohydrazide | C36H32N2O6

3,4,5-Tris(benzyloxy)-N'-[(3-methoxy-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]benzohydrazide

  • Molecular FormulaC36H32N2O6
  • Average mass588.649 Da
  • Monoisotopic mass588.226013 Da
  • ChemSpider ID5222791

More details:

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

3,4,5-Tris(benzyloxy)-N'-[(3-methoxy-4-oxo-2,5-cyclohexadien-1-yliden)methyl]benzohydrazid [German] [ACD/IUPAC Name]
3,4,5-Tris(benzyloxy)-N'-[(3-methoxy-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]benzohydrazide [ACD/IUPAC Name]
3,4,5-Tris(benzyloxy)-N'-[(3-méthoxy-4-oxo-2,5-cyclohexadién-1-ylidène)méthyl]benzohydrazide [French] [ACD/IUPAC Name]
Benzoic acid, 3,4,5-tris(phenylmethoxy)-, 2-[(3-methoxy-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]hydrazide [ACD/Index Name]

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

ZINC08427058 [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: 756.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.1±3.0 kJ/mol
Flash Point: 411.0±32.9 °C
Index of Refraction: 1.661
Molar Refractivity: 168.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 5.97
ACD/LogD (pH 5.5): 5.33
ACD/BCF (pH 5.5): 6575.74
ACD/KOC (pH 5.5): 18813.76
ACD/LogD (pH 7.4): 5.33
ACD/BCF (pH 7.4): 6572.09
ACD/KOC (pH 7.4): 18803.31
Polar Surface Area: 95 Å2
Polarizability: 66.7±0.5 10-24cm3
Surface Tension: 61.7±5.0 dyne/cm
Molar Volume: 454.9±5.0 cm3

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