ChemSpider 2D Image | 4-({[4-Amino-6-(4-bromobenzyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}acetyl)-3-phenyl-1,2,3-oxadiazol-3-ium-5-olate | C20H15BrN6O4S

4-({[4-Amino-6-(4-bromobenzyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}acetyl)-3-phenyl-1,2,3-oxadiazol-3-ium-5-olate

  • Molecular FormulaC20H15BrN6O4S
  • Average mass515.340 Da
  • Monoisotopic mass514.005859 Da
  • ChemSpider ID24694363

More details:

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

1,2,3-Oxadiazolium, 4-[2-[[4-amino-6-[(4-bromophenyl)methyl]-4,5-dihydro-5-oxo-1,2,4-triazin-3-yl]thio]acetyl]-5-hydroxy-3-phenyl-, inner salt [ACD/Index Name]
4-({[4-Amino-6-(4-brombenzyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}acetyl)-3-phenyl-1,2,3-oxadiazol-3-ium-5-olat [German] [ACD/IUPAC Name]
4-({[4-Amino-6-(4-bromobenzyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}acetyl)-3-phenyl-1,2,3-oxadiazol-3-ium-5-olate [ACD/IUPAC Name]
4-(2-{[4-Amino-6-(4-bromobenzyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}acétyl)-3-phényl-1,2,3-oxadiazol-3-ium-5-olate [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL468437/

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

Density:
Boiling Point:
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Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 166 Å2
Polarizability:
Surface Tension:
Molar Volume:

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