ChemSpider 2D Image | (2S,8R)-8-BENZYL-2-(4-BROMOBENZYL)-2-HYDROPEROXY-6-(4-HYDROXYPHENYL)-7,8-DIHYDROIMIDAZO[1,2-A]PYRAZIN-3(2H)-ONE | C26H22BrN3O4

(2S,8R)-8-BENZYL-2-(4-BROMOBENZYL)-2-HYDROPEROXY-6-(4-HYDROXYPHENYL)-7,8-DIHYDROIMIDAZO[1,2-A]PYRAZIN-3(2H)-ONE

  • Molecular FormulaC26H22BrN3O4
  • Average mass520.375 Da
  • Monoisotopic mass519.079000 Da
  • ChemSpider ID25060487

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,8R)-8-BENZYL-2-(4-BROMOBENZYL)-2-HYDROPEROXY-6-(4-HYDROXYPHENYL)-7,8-DIHYDROIMIDAZO[1,2-A]PYRAZIN-3(2H)-ONE
(2S,8S)-8-Benzyl-2-(4-brombenzyl)-2-hydroperoxy-6-(4-hydroxyphenyl)-7,8-dihydroimidazo[1,2-a]pyrazin-3(2H)-on [German] [ACD/IUPAC Name]
(2S,8S)-8-Benzyl-2-(4-bromobenzyl)-2-hydroperoxy-6-(4-hydroxyphenyl)-7,8-dihydroimidazo[1,2-a]pyrazin-3(2H)-one [ACD/IUPAC Name]
(2S,8S)-8-Benzyl-2-(4-bromobenzyl)-2-hydroperoxy-6-(4-hydroxyphényl)-7,8-dihydroimidazo[1,2-a]pyrazin-3(2H)-one [French] [ACD/IUPAC Name]
Imidazo[1,2-a]pyrazin-3(2H)-one, 2-[(4-bromophenyl)methyl]-7,8-dihydro-2-hydroperoxy-6-(4-hydroxyphenyl)-8-(phenylmethyl)-, (2S,8S)- [ACD/Index Name]
BR-COELENETERAZINE

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

Density: 1.5±0.0 g/cm3
Boiling Point: 710.1±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 109.0±0.0 kJ/mol
Flash Point: 383.3±0.0 °C
Index of Refraction: 1.690
Molar Refractivity: 131.7±0.0 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.15
ACD/LogD (pH 5.5): 4.15
ACD/BCF (pH 5.5): 833.23
ACD/KOC (pH 5.5): 4277.61
ACD/LogD (pH 7.4): 3.92
ACD/BCF (pH 7.4): 498.83
ACD/KOC (pH 7.4): 2560.88
Polar Surface Area: 94 Å2
Polarizability: 52.2±0.0 10-24cm3
Surface Tension: 58.4±0.0 dyne/cm
Molar Volume: 344.6±0.0 cm3

Click to predict properties on the Chemicalize site


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