ChemSpider 2D Image | Ethyl 4-[(5-oxo-5,8-dihydro-1H-pyrazolo[3,4-d][1,2,4]triazolo[4,3-a]pyrimidin-3-yl)amino]benzoate | C15H13N7O3

Ethyl 4-[(5-oxo-5,8-dihydro-1H-pyrazolo[3,4-d][1,2,4]triazolo[4,3-a]pyrimidin-3-yl)amino]benzoate

  • Molecular FormulaC15H13N7O3
  • Average mass339.309 Da
  • Monoisotopic mass339.108002 Da
  • ChemSpider ID21793574

More details:

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

4-[(5-Oxo-5,8-dihydro-1H-pyrazolo[3,4-d][1,2,4]triazolo[4,3-a]pyrimidin-3-yl)amino]benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(5,8-dihydro-5-oxo-1H-pyrazolo[3,4-d]-1,2,4-triazolo[4,3-a]pyrimidin-3-yl)amino]-, ethyl ester [ACD/Index Name]
Ethyl 4-[(5-oxo-5,8-dihydro-1H-pyrazolo[3,4-d][1,2,4]triazolo[4,3-a]pyrimidin-3-yl)amino]benzoate [ACD/IUPAC Name]
Ethyl-4-[(5-oxo-5,8-dihydro-1H-pyrazolo[3,4-d][1,2,4]triazolo[4,3-a]pyrimidin-3-yl)amino]benzoat [German] [ACD/IUPAC Name]
1170506-19-0 [RN]
ethyl 4-((5-oxo-5,8-dihydro-1H-pyrazolo[3,4-d][1,2,4]triazolo[4,3-a]pyrimidin-3-yl)amino)benzoate

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

Density: 1.7±0.1 g/cm3
Boiling Point: 584.2±56.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.3±3.0 kJ/mol
Flash Point: 307.1±31.8 °C
Index of Refraction: 1.819
Molar Refractivity: 86.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 0.45
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 124 Å2
Polarizability: 34.4±0.5 10-24cm3
Surface Tension: 76.9±7.0 dyne/cm
Molar Volume: 199.2±7.0 cm3

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