ChemSpider 2D Image | N-(1,3-Benzodioxol-5-yl)-2-{6-[(2-methyl-2-propanyl)sulfonyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide | C18H19N5O6S

N-(1,3-Benzodioxol-5-yl)-2-{6-[(2-methyl-2-propanyl)sulfonyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide

  • Molecular FormulaC18H19N5O6S
  • Average mass433.438 Da
  • Monoisotopic mass433.105591 Da
  • ChemSpider ID26321384

More details:

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

1,2,4-Triazolo[4,3-b]pyridazine-2(3H)-acetamide, N-1,3-benzodioxol-5-yl-6-[(1,1-dimethylethyl)sulfonyl]-3-oxo- [ACD/Index Name]
N-(1,3-Benzodioxol-5-yl)-2-{6-[(2-methyl-2-propanyl)sulfonyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamid [German] [ACD/IUPAC Name]
N-(1,3-Benzodioxol-5-yl)-2-{6-[(2-methyl-2-propanyl)sulfonyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide [ACD/IUPAC Name]
N-(1,3-Benzodioxol-5-yl)-2-{6-[(2-méthyl-2-propanyl)sulfonyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acétamide [French] [ACD/IUPAC Name]
1189897-91-3 [RN]
N-(2H-1,3-benzodioxol-5-yl)-2-[6-(2-methylpropane-2-sulfonyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]acetamide
N-(benzo[d][1,3]dioxol-5-yl)-2-(6-(tert-butylsulfonyl)-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl)acetamide

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.704
Molar Refractivity: 106.6±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -0.05
ACD/LogD (pH 5.5): 0.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 34.57
ACD/LogD (pH 7.4): 0.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 34.57
Polar Surface Area: 138 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 65.5±7.0 dyne/cm
Molar Volume: 274.4±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement