ChemSpider 2D Image | 4-[8-Benzyl-2-(4-bromobenzyl)-2-hydroperoxy-3-oxo-2,3,7,8-tetrahydroimidazo[1,2-a]pyrazin-6-yl]phenolatato | C26H21BrN3O4

4-[8-Benzyl-2-(4-bromobenzyl)-2-hydroperoxy-3-oxo-2,3,7,8-tetrahydroimidazo[1,2-a]pyrazin-6-yl]phenolatato

  • Molecular FormulaC26H21BrN3O4
  • Average mass519.367 Da
  • Monoisotopic mass518.072083 Da
  • ChemSpider ID21240639

  • Charge - Charge

More details:

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

4-[8-Benzyl-2-(4-brombenzyl)-2-hydroperoxy-3-oxo-2,3,7,8-tetrahydroimidazo[1,2-a]pyrazin-6-yl]phenolat [German] [ACD/IUPAC Name]
4-[8-Benzyl-2-(4-bromobenzyl)-2-hydroperoxy-3-oxo-2,3,7,8-tetrahydroimidazo[1,2-a]pyrazin-6-yl]phenolatato [ACD/IUPAC Name]
4-[8-Benzyl-2-(4-bromobenzyl)-2-hydroperoxy-3-oxo-2,3,7,8-tétrahydroimidazo[1,2-a]pyrazin-6-yl]phénolate [French] [ACD/IUPAC Name]
Imidazo[1,2-a]pyrazin-3(2H)-onato, 2-[(4-bromophenyl)methyl]-7,8-dihydro-2-hydroperoxy-6-(4-hydroxyphenyl)-8-(phenylmethyl)-, ion(1-) [ACD/Index Name]

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

Density:
Boiling Point: 710.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.0±3.0 kJ/mol
Flash Point: 383.3±35.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.75
ACD/LogD (pH 5.5): 4.67
ACD/BCF (pH 5.5): 2085.10
ACD/KOC (pH 5.5): 8236.83
ACD/LogD (pH 7.4): 4.36
ACD/BCF (pH 7.4): 1028.01
ACD/KOC (pH 7.4): 4060.96
Polar Surface Area: 97 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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