ChemSpider 2D Image | 3-(4-Fluorobenzyl)-1-methyl-1-{1-[3-(3-pyridinyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-azetidinyl}urea | C22H21FN8O

3-(4-Fluorobenzyl)-1-methyl-1-{1-[3-(3-pyridinyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-azetidinyl}urea

  • Molecular FormulaC22H21FN8O
  • Average mass432.453 Da
  • Monoisotopic mass432.182251 Da
  • ChemSpider ID77448098

More details:

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

3-(4-Fluorbenzyl)-1-methyl-1-{1-[3-(3-pyridinyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-azetidinyl}harnstoff [German] [ACD/IUPAC Name]
3-(4-Fluorobenzyl)-1-methyl-1-{1-[3-(3-pyridinyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-azetidinyl}urea [ACD/IUPAC Name]
3-(4-Fluorobenzyl)-1-méthyl-1-{1-[3-(3-pyridinyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-azétidinyl}urée [French] [ACD/IUPAC Name]
Urea, N'-[(4-fluorophenyl)methyl]-N-methyl-N-[1-[3-(3-pyridinyl)-1,2,4-triazolo[4,3-b]pyridazin-6-yl]-3-azetidinyl]- [ACD/Index Name]
1-[(4-fluorophenyl)methyl]-3-methyl-3-{1-[3-(pyridin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azetidin-3-yl}urea
2380033-59-8 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.726
Molar Refractivity: 118.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.51
ACD/LogD (pH 5.5): 1.47
ACD/BCF (pH 5.5): 7.70
ACD/KOC (pH 5.5): 149.92
ACD/LogD (pH 7.4): 1.47
ACD/BCF (pH 7.4): 7.70
ACD/KOC (pH 7.4): 150.03
Polar Surface Area: 92 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 59.1±7.0 dyne/cm
Molar Volume: 299.1±7.0 cm3

Click to predict properties on the Chemicalize site


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