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

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

  • Molecular FormulaC15H13N7O3
  • Average mass339.309 Da
  • Monoisotopic mass339.108002 Da
  • ChemSpider ID21793573

More details:

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

4-[(4-Oxo-4,5-dihydro-1H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-a]pyrimidin-8-yl)amino]benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(4,5-dihydro-4-oxo-1H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-a]pyrimidin-8-yl)amino]-, ethyl ester [ACD/Index Name]
Ethyl 4-[(4-oxo-4,5-dihydro-1H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-a]pyrimidin-8-yl)amino]benzoate [ACD/IUPAC Name]
Ethyl-4-[(4-oxo-4,5-dihydro-1H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-a]pyrimidin-8-yl)amino]benzoat [German] [ACD/IUPAC Name]
1119442-15-7 [RN]
4-(4-Oxo-1,4-dihydro-5H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-a]pyrimidin-8-ylamino)-benzoic acid ethyl ester
ethyl 4-((4-oxo-4,6-dihydro-1H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-a]pyrimidin-8-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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
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: 2.17
ACD/LogD (pH 5.5): 1.75
ACD/BCF (pH 5.5): 12.49
ACD/KOC (pH 5.5): 211.88
ACD/LogD (pH 7.4): 1.66
ACD/BCF (pH 7.4): 10.28
ACD/KOC (pH 7.4): 174.47
Polar Surface Area: 127 Å2
Polarizability: 34.4±0.5 10-24cm3
Surface Tension: 76.9±7.0 dyne/cm
Molar Volume: 199.2±7.0 cm3

Click to predict properties on the Chemicalize site


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