ChemSpider 2D Image | N-(1,3-Benzodioxol-5-yl)-2-{[7-(4-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetamide | C20H14FN5O4S

N-(1,3-Benzodioxol-5-yl)-2-{[7-(4-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetamide

  • Molecular FormulaC20H14FN5O4S
  • Average mass439.420 Da
  • Monoisotopic mass439.075043 Da
  • ChemSpider ID28386183

More details:

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

Acetamide, N-1,3-benzodioxol-5-yl-2-[[7-(4-fluorophenyl)-7,8-dihydro-8-oxo-1,2,4-triazolo[4,3-a]pyrazin-3-yl]thio]- [ACD/Index Name]
N-(1,3-Benzodioxol-5-yl)-2-{[7-(4-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetamide [ACD/IUPAC Name]
N-(1,3-Benzodioxol-5-yl)-2-{[7-(4-fluorophényl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acétamide [French] [ACD/IUPAC Name]
N-(1,3-Benzodioxol-5-yl)-2-{[7-(4-fluorphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetamid [German] [ACD/IUPAC Name]
N-1,3-benzodioxol-5-yl-2-{[7-(4-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]thio}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: 1.752
Molar Refractivity: 111.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.44
ACD/LogD (pH 5.5): 2.36
ACD/BCF (pH 5.5): 36.70
ACD/KOC (pH 5.5): 458.77
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 36.70
ACD/KOC (pH 7.4): 458.76
Polar Surface Area: 124 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 67.0±7.0 dyne/cm
Molar Volume: 272.4±7.0 cm3

Click to predict properties on the Chemicalize site


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