ChemSpider 2D Image | [5-(6-Bromo[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2,4-dihydroxyphenyl](3,4-dihydro-2(1H)-isoquinolinyl)methanone | C22H17BrN4O3

[5-(6-Bromo[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2,4-dihydroxyphenyl](3,4-dihydro-2(1H)-isoquinolinyl)methanone

  • Molecular FormulaC22H17BrN4O3
  • Average mass465.299 Da
  • Monoisotopic mass464.048401 Da
  • ChemSpider ID34255457

More details:

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

[5-(6-Brom[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2,4-dihydroxyphenyl](3,4-dihydro-2(1H)-isochinolinyl)methanon [German] [ACD/IUPAC Name]
[5-(6-Bromo[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2,4-dihydroxyphényl](3,4-dihydro-2(1H)-isoquinoléinyl)méthanone [French] [ACD/IUPAC Name]
[5-(6-Bromo[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2,4-dihydroxyphenyl](3,4-dihydro-2(1H)-isoquinolinyl)methanone [ACD/IUPAC Name]
[5-(6-bromo[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2,4-dihydroxyphenyl](3,4-dihydroisoquinolin-2(1H)-yl)methanone
Methanone, [5-(6-bromo-1,2,4-triazolo[4,3-a]pyridin-3-yl)-2,4-dihydroxyphenyl](3,4-dihydro-2(1H)-isoquinolinyl)- [ACD/Index Name]

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: 1.763
Molar Refractivity: 115.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.31
ACD/LogD (pH 5.5): 4.49
ACD/BCF (pH 5.5): 1365.04
ACD/KOC (pH 5.5): 5394.36
ACD/LogD (pH 7.4): 2.71
ACD/BCF (pH 7.4): 22.96
ACD/KOC (pH 7.4): 90.73
Polar Surface Area: 91 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 66.6±7.0 dyne/cm
Molar Volume: 279.4±7.0 cm3

Click to predict properties on the Chemicalize site


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