ChemSpider 2D Image | N-(2-Chloro-4-methylphenyl)-2-{6-[(2-methyl-2-propanyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide | C18H20ClN5O2S

N-(2-Chloro-4-methylphenyl)-2-{6-[(2-methyl-2-propanyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide

  • Molecular FormulaC18H20ClN5O2S
  • Average mass405.902 Da
  • Monoisotopic mass405.102631 Da
  • ChemSpider ID22279936

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-(2-chloro-4-methylphenyl)-6-[(1,1-dimethylethyl)thio]-3-oxo- [ACD/Index Name]
N-(2-Chlor-4-methylphenyl)-2-{6-[(2-methyl-2-propanyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamid [German] [ACD/IUPAC Name]
N-(2-Chloro-4-methylphenyl)-2-{6-[(2-methyl-2-propanyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide [ACD/IUPAC Name]
N-(2-Chloro-4-méthylphényl)-2-{6-[(2-méthyl-2-propanyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acétamide [French] [ACD/IUPAC Name]
1040653-85-7 [RN]
2-(6-(tert-butylthio)-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl)-N-(2-chloro-4-methylphenyl)acetamide
2-[6-(tert-butylsulfanyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]-N-(2-chloro-4-methylphenyl)acetamide
2-[6-(tert-butylthio)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]-N-(2-chloro-4-methylphenyl)acetamide

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: 1.666
Molar Refractivity: 108.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.04
ACD/LogD (pH 5.5): 2.90
ACD/BCF (pH 5.5): 93.49
ACD/KOC (pH 5.5): 895.97
ACD/LogD (pH 7.4): 2.90
ACD/BCF (pH 7.4): 93.49
ACD/KOC (pH 7.4): 895.97
Polar Surface Area: 103 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 52.2±7.0 dyne/cm
Molar Volume: 292.7±7.0 cm3

Click to predict properties on the Chemicalize site


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