ChemSpider 2D Image | Methyl 4-[({[9-(4-methoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetyl)amino]benzoate | C24H20N6O4S

Methyl 4-[({[9-(4-methoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetyl)amino]benzoate

  • Molecular FormulaC24H20N6O4S
  • Average mass488.518 Da
  • Monoisotopic mass488.126678 Da
  • ChemSpider ID26309859

More details:

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

4-[(2-{[9-(4-Méthoxyphényl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acétyl)amino]benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[2-[[9-(4-methoxyphenyl)pyrazolo[1,5-a]-1,2,4-triazolo[3,4-c]pyrazin-3-yl]thio]acetyl]amino]-, methyl ester [ACD/Index Name]
Methyl 4-[({[9-(4-methoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetyl)amino]benzoate [ACD/IUPAC Name]
Methyl-4-[({[9-(4-methoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetyl)amino]benzoat [German] [ACD/IUPAC Name]
1207025-31-7 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4517421/
methyl 4-(2-((9-(4-methoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl)thio)acetamido)benzoate
methyl 4-(2-{[11-(4-methoxyphenyl)-3,4,6,9,10-pentaazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaen-5-yl]sulfanyl}acetamido)benzoate
methyl 4-[({[9-(4-methoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]thio}acetyl)amino]benzoate

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.716
Molar Refractivity: 132.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.71
ACD/LogD (pH 5.5): 3.43
ACD/BCF (pH 5.5): 236.78
ACD/KOC (pH 5.5): 1742.47
ACD/LogD (pH 7.4): 3.43
ACD/BCF (pH 7.4): 236.78
ACD/KOC (pH 7.4): 1742.47
Polar Surface Area: 137 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 60.4±7.0 dyne/cm
Molar Volume: 336.6±7.0 cm3

Click to predict properties on the Chemicalize site


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