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Search term: PYYVFTPSPOWFIH (Found by InChIKey (skeleton match))

ChemSpider 2D Image | Methyl [4-(carbamoylsulfamoyl)phenyl][1,2,4]triazolo[4,3-a]pyrazin-5-ylcarbamate | C14H13N7O5S

Methyl [4-(carbamoylsulfamoyl)phenyl][1,2,4]triazolo[4,3-a]pyrazin-5-ylcarbamate

  • Molecular FormulaC14H13N7O5S
  • Average mass391.362 Da
  • Monoisotopic mass391.069885 Da
  • ChemSpider ID102783060

More details:

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

[4-(Carbamoylsulfamoyl)phényl][1,2,4]triazolo[4,3-a]pyrazin-5-ylcarbamate de méthyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[4-[[(aminocarbonyl)amino]sulfonyl]phenyl]-N-1,2,4-triazolo[4,3-a]pyrazin-5-yl-, methyl ester [ACD/Index Name]
Methyl [4-(carbamoylsulfamoyl)phenyl][1,2,4]triazolo[4,3-a]pyrazin-5-ylcarbamate [ACD/IUPAC Name]
Methyl-[4-(carbamoylsulfamoyl)phenyl][1,2,4]triazolo[4,3-a]pyrazin-5-ylcarbamat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.754
Molar Refractivity: 94.1±0.5 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -1.02
ACD/LogD (pH 5.5): -1.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 170 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 80.5±7.0 dyne/cm
Molar Volume: 230.1±7.0 cm3

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