ChemSpider 2D Image | Methyl 4-{5-chloro-6-oxo-4-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-piperidinyl]-1(6H)-pyridazinyl}benzoate | C23H21ClN6O3

Methyl 4-{5-chloro-6-oxo-4-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-piperidinyl]-1(6H)-pyridazinyl}benzoate

  • Molecular FormulaC23H21ClN6O3
  • Average mass464.904 Da
  • Monoisotopic mass464.136353 Da
  • ChemSpider ID22418862

More details:

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

4-{5-Chloro-6-oxo-4-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-pipéridinyl]-1(6H)-pyridazinyl}benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[5-chloro-6-oxo-4-[4-(1,2,4-triazolo[4,3-a]pyridin-3-yl)-1-piperidinyl]-1(6H)-pyridazinyl]-, methyl ester [ACD/Index Name]
Methyl 4-{5-chloro-6-oxo-4-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-piperidinyl]-1(6H)-pyridazinyl}benzoate [ACD/IUPAC Name]
Methyl-4-{5-chlor-6-oxo-4-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-piperidinyl]-1(6H)-pyridazinyl}benzoat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.717
Molar Refractivity: 124.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.84
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 56.86
ACD/KOC (pH 5.5): 625.30
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 57.60
ACD/KOC (pH 7.4): 633.40
Polar Surface Area: 92 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 60.7±7.0 dyne/cm
Molar Volume: 315.9±7.0 cm3

Click to predict properties on the Chemicalize site


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