ChemSpider 2D Image | 2-{6-[(2-Methyl-2-propanyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}-N-(3,4,5-trimethoxyphenyl)acetamide | C20H25N5O5S

2-{6-[(2-Methyl-2-propanyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}-N-(3,4,5-trimethoxyphenyl)acetamide

  • Molecular FormulaC20H25N5O5S
  • Average mass447.508 Da
  • Monoisotopic mass447.157654 Da
  • ChemSpider ID22280198

More details:

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

1,2,4-Triazolo[4,3-b]pyridazine-2(3H)-acetamide, 6-[(1,1-dimethylethyl)thio]-3-oxo-N-(3,4,5-trimethoxyphenyl)- [ACD/Index Name]
2-{6-[(2-Methyl-2-propanyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}-N-(3,4,5-trimethoxyphenyl)acetamid [German] [ACD/IUPAC Name]
2-{6-[(2-Methyl-2-propanyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}-N-(3,4,5-trimethoxyphenyl)acetamide [ACD/IUPAC Name]
2-{6-[(2-Méthyl-2-propanyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}-N-(3,4,5-triméthoxyphényl)acétamide [French] [ACD/IUPAC Name]
1040666-75-8 [RN]
2-(6-(tert-butylthio)-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
2-(6-tert-butylsulfanyl-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-2-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
2-[6-(tert-butylsulfanyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
2-[6-(tert-butylthio)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]-N-(3,4,5-trimethoxyphenyl)acetamide

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: 1.621
Molar Refractivity: 117.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 1.42
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 16.47
ACD/KOC (pH 5.5): 258.53
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 16.47
ACD/KOC (pH 7.4): 258.53
Polar Surface Area: 130 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 48.2±7.0 dyne/cm
Molar Volume: 333.2±7.0 cm3

Click to predict properties on the Chemicalize site


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