ChemSpider 2D Image | {4-[3-(3-Fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,4-diazepan-1-yl}(5-methyl-2-pyrazinyl)methanone | C22H21FN8O

{4-[3-(3-Fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,4-diazepan-1-yl}(5-methyl-2-pyrazinyl)methanone

  • Molecular FormulaC22H21FN8O
  • Average mass432.453 Da
  • Monoisotopic mass432.182251 Da
  • ChemSpider ID77451457

More details:

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

{4-[3-(3-Fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,4-diazepan-1-yl}(5-methyl-2-pyrazinyl)methanone [ACD/IUPAC Name]
{4-[3-(3-Fluorophényl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,4-diazépan-1-yl}(5-méthyl-2-pyrazinyl)méthanone [French] [ACD/IUPAC Name]
{4-[3-(3-Fluorphenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,4-diazepan-1-yl}(5-methyl-2-pyrazinyl)methanon [German] [ACD/IUPAC Name]
Methanone, [4-[3-(3-fluorophenyl)-1,2,4-triazolo[4,3-b]pyridazin-6-yl]hexahydro-1H-1,4-diazepin-1-yl](5-methyl-2-pyrazinyl)- [ACD/Index Name]
1-[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-4-(5-methylpyrazine-2-carbonyl)-1,4-diazepane
2380184-04-1 [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: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.39
ACD/LogD (pH 5.5): 1.33
ACD/BCF (pH 5.5): 6.00
ACD/KOC (pH 5.5): 124.86
ACD/LogD (pH 7.4): 1.34
ACD/BCF (pH 7.4): 6.11
ACD/KOC (pH 7.4): 127.19
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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