ChemSpider 2D Image | 3-(2-{3-[4-(Benzyloxy)phenyl]-1,2,4-oxadiazol-5-yl}ethyl)-N-butyl-N-ethyl[1,2,4]triazolo[4,3-b]pyridazin-6-amine | C28H31N7O2

3-(2-{3-[4-(Benzyloxy)phenyl]-1,2,4-oxadiazol-5-yl}ethyl)-N-butyl-N-ethyl[1,2,4]triazolo[4,3-b]pyridazin-6-amine

  • Molecular FormulaC28H31N7O2
  • Average mass497.591 Da
  • Monoisotopic mass497.253937 Da
  • ChemSpider ID23029601

More details:

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

1,2,4-Triazolo[4,3-b]pyridazin-6-amine, N-butyl-N-ethyl-3-[2-[3-[4-(phenylmethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]- [ACD/Index Name]
3-(2-{3-[4-(Benzyloxy)phenyl]-1,2,4-oxadiazol-5-yl}ethyl)-N-butyl-N-ethyl[1,2,4]triazolo[4,3-b]pyridazin-6-amin [German] [ACD/IUPAC Name]
3-(2-{3-[4-(Benzyloxy)phenyl]-1,2,4-oxadiazol-5-yl}ethyl)-N-butyl-N-ethyl[1,2,4]triazolo[4,3-b]pyridazin-6-amine [ACD/IUPAC Name]
3-(2-{3-[4-(Benzyloxy)phényl]-1,2,4-oxadiazol-5-yl}éthyl)-N-butyl-N-éthyl[1,2,4]triazolo[4,3-b]pyridazin-6-amine [French] [ACD/IUPAC Name]
1115892-95-9 [RN]
3-(2-(3-(4-(benzyloxy)phenyl)-1,2,4-oxadiazol-5-yl)ethyl)-N-butyl-N-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
3-(2-{3-[4-(benzyloxy)phenyl]-1,2,4-oxadiazol-5-yl}ethyl)-N-butyl-N-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
MFCD02045663
N-butyl-N-ethyl-3-[2-[3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.649
Molar Refractivity: 144.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 6.61
ACD/LogD (pH 5.5): 4.66
ACD/BCF (pH 5.5): 2054.56
ACD/KOC (pH 5.5): 8179.37
ACD/LogD (pH 7.4): 4.66
ACD/BCF (pH 7.4): 2056.55
ACD/KOC (pH 7.4): 8187.29
Polar Surface Area: 94 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 49.5±7.0 dyne/cm
Molar Volume: 396.5±7.0 cm3

Click to predict properties on the Chemicalize site


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