ChemSpider 2D Image | 8-[(2Z)-2-{5-Bromo-2-oxo-1-[(2E)-3-phenyl-2-propen-1-yl]-1,2-dihydro-3H-indol-3-ylidene}hydrazino]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione | C25H22BrN7O3

8-[(2Z)-2-{5-Bromo-2-oxo-1-[(2E)-3-phenyl-2-propen-1-yl]-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 ID17540713

  • Double-bond stereo - Double-bond stereo

More details:

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

1H-Purine-2,6-dione, 8-[(2Z)-2-[5-bromo-1,2-dihydro-2-oxo-1-[(2E)-3-phenyl-2-propen-1-yl]-3H-indol-3-ylidene]hydrazinyl]-3,7-dihydro-1,3,7-trimethyl- [ACD/Index Name]
8-[(2Z)-2-{5-Brom-2-oxo-1-[(2E)-3-phenyl-2-propen-1-yl]-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-[(2Z)-2-{5-Bromo-2-oxo-1-[(2E)-3-phenyl-2-propen-1-yl]-1,2-dihydro-3H-indol-3-ylidene}hydrazino]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
8-[(2Z)-2-{5-Bromo-2-oxo-1-[(2E)-3-phényl-2-propén-1-yl]-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): 1014.25
ACD/KOC (pH 5.5): 4932.94
ACD/LogD (pH 7.4): 4.18
ACD/BCF (pH 7.4): 855.29
ACD/KOC (pH 7.4): 4159.79
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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