ChemSpider 2D Image | N-COELENETERAZINE | C30H25N3O4

N-COELENETERAZINE

  • Molecular FormulaC30H25N3O4
  • Average mass491.537 Da
  • Monoisotopic mass491.184509 Da
  • ChemSpider ID26330207

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,8S)-8-Benzyl-2-hydroperoxy-6-(4-hydroxyphenyl)-2-(2-naphthylmethyl)-7,8-dihydroimidazo[1,2-a]pyrazin-3(2H)-on [German] [ACD/IUPAC Name]
(2R,8S)-8-Benzyl-2-hydroperoxy-6-(4-hydroxyphenyl)-2-(2-naphthylmethyl)-7,8-dihydroimidazo[1,2-a]pyrazin-3(2H)-one [ACD/IUPAC Name]
(2R,8S)-8-Benzyl-2-hydroperoxy-6-(4-hydroxyphényl)-2-(2-naphtylméthyl)-7,8-dihydroimidazo[1,2-a]pyrazin-3(2H)-one [French] [ACD/IUPAC Name]
Imidazo[1,2-a]pyrazin-3(2H)-one, 7,8-dihydro-2-hydroperoxy-6-(4-hydroxyphenyl)-2-(2-naphthalenylmethyl)-8-(phenylmethyl)-, (2R,8S)- [ACD/Index Name]
N-COELENETERAZINE
(2R,8S)-8-benzyl-2-hydroperoxy-6-(4-hydroxyphenyl)-2-(naphthalen-2-ylmethyl)-2H,3H,7H,8H-imidazo[1,2-a]pyrazin-3-one

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

Density: 1.3±0.1 g/cm3
Boiling Point: 738.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.1±3.0 kJ/mol
Flash Point: 400.4±35.7 °C
Index of Refraction: 1.687
Molar Refractivity: 140.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.20
ACD/LogD (pH 5.5): 5.09
ACD/BCF (pH 5.5): 4369.08
ACD/KOC (pH 5.5): 13990.22
ACD/LogD (pH 7.4): 4.80
ACD/BCF (pH 7.4): 2229.44
ACD/KOC (pH 7.4): 7138.88
Polar Surface Area: 94 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 56.6±7.0 dyne/cm
Molar Volume: 367.7±7.0 cm3

Click to predict properties on the Chemicalize site


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