ChemSpider 2D Image | Ethyl 4-[({6-[(2-methyl-2-propanyl)sulfonyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetyl)amino]benzoate | C20H23N5O6S

Ethyl 4-[({6-[(2-methyl-2-propanyl)sulfonyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetyl)amino]benzoate

  • Molecular FormulaC20H23N5O6S
  • Average mass461.491 Da
  • Monoisotopic mass461.136902 Da
  • ChemSpider ID28948705

More details:

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

4-[(2-{6-[(2-Méthyl-2-propanyl)sulfonyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acétyl)amino]benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[2-[6-[(1,1-dimethylethyl)sulfonyl]-3-oxo-1,2,4-triazolo[4,3-b]pyridazin-2(3H)-yl]acetyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 4-[({6-[(2-methyl-2-propanyl)sulfonyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetyl)amino]benzoate [ACD/IUPAC Name]
Ethyl-4-[({6-[(2-methyl-2-propanyl)sulfonyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetyl)amino]benzoat [German] [ACD/IUPAC Name]
1189913-86-7 [RN]
ethyl 4-(2-(6-(tert-butylsulfonyl)-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl)acetamido)benzoate
ethyl 4-{2-[6-(2-methylpropane-2-sulfonyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]acetamido}benzoate

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: 1.644
Molar Refractivity: 117.6±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 0.98
ACD/LogD (pH 5.5): 1.38
ACD/BCF (pH 5.5): 6.62
ACD/KOC (pH 5.5): 134.65
ACD/LogD (pH 7.4): 1.38
ACD/BCF (pH 7.4): 6.62
ACD/KOC (pH 7.4): 134.65
Polar Surface Area: 146 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 56.7±7.0 dyne/cm
Molar Volume: 325.0±7.0 cm3

Click to predict properties on the Chemicalize site


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