ChemSpider 2D Image | Ethyl (9-bromo-5-oxo-5,6-dihydro[1,2,4]triazolo[1,5-c]quinazolin-2-yl)acetate | C13H11BrN4O3

Ethyl (9-bromo-5-oxo-5,6-dihydro[1,2,4]triazolo[1,5-c]quinazolin-2-yl)acetate

  • Molecular FormulaC13H11BrN4O3
  • Average mass351.155 Da
  • Monoisotopic mass350.001434 Da
  • ChemSpider ID24808620

More details:

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

(9-Bromo-5-oxo-5,6-dihydro[1,2,4]triazolo[1,5-c]quinazolin-2-yl)acétate d'éthyle [French] [ACD/IUPAC Name]
[1,2,4]Triazolo[1,5-c]quinazoline-2-acetic acid, 9-bromo-5,6-dihydro-5-oxo-, ethyl ester [ACD/Index Name]
Ethyl (9-bromo-5-oxo-5,6-dihydro[1,2,4]triazolo[1,5-c]quinazolin-2-yl)acetate [ACD/IUPAC Name]
Ethyl-(9-brom-5-oxo-5,6-dihydro[1,2,4]triazolo[1,5-c]chinazolin-2-yl)acetat [German] [ACD/IUPAC Name]
Kinome_2507

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.742
Molar Refractivity: 78.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.16
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 61.76
ACD/KOC (pH 5.5): 665.84
ACD/LogD (pH 7.4): 2.65
ACD/BCF (pH 7.4): 60.21
ACD/KOC (pH 7.4): 649.07
Polar Surface Area: 86 Å2
Polarizability: 31.1±0.5 10-24cm3
Surface Tension: 65.4±7.0 dyne/cm
Molar Volume: 194.1±7.0 cm3

Click to predict properties on the Chemicalize site


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