ChemSpider 2D Image | 8-[2-(5-Bromo-1-cinnamyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazino]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione | C25H22BrN7O3

8-[2-(5-Bromo-1-cinnamyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazino]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione

  • Molecular FormulaC25H22BrN7O3
  • Average mass548.391 Da
  • Monoisotopic mass547.096741 Da
  • ChemSpider ID5237330

More details:

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

1H-Purine-2,6-dione, 8-[2-[5-bromo-1,2-dihydro-2-oxo-1-(3-phenyl-2-propen-1-yl)-3H-indol-3-ylidene]hydrazinyl]-3,7-dihydro-1,3,7-trimethyl- [ACD/Index Name]
8-[2-(5-Brom-1-cinnamyl-2-oxo-1,2-dihydro-3H-indol-3-yliden)hydrazino]-1,3,7-trimethyl-3,7-dihydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
8-[2-(5-Bromo-1-cinnamyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazino]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
8-[2-(5-Bromo-1-cinnamyl-2-oxo-1,2-dihydro-3H-indol-3-ylidène)hydrazino]-1,3,7-triméthyl-3,7-dihydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 771.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.3±3.0 kJ/mol
Flash Point: 420.5±35.7 °C
Index of Refraction: 1.726
Molar Refractivity: 139.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 4.59
ACD/LogD (pH 5.5): 4.26
ACD/BCF (pH 5.5): 1014.16
ACD/KOC (pH 5.5): 4932.51
ACD/LogD (pH 7.4): 4.18
ACD/BCF (pH 7.4): 850.35
ACD/KOC (pH 7.4): 4135.80
Polar Surface Area: 103 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 60.6±7.0 dyne/cm
Molar Volume: 351.0±7.0 cm3

Click to predict properties on the Chemicalize site


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