ChemSpider 2D Image | 3-Methyl-2-oxo-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]-2,3-dihydro-1,3-benzoxazole-5-sulfonamide | C12H13N5O4S2

3-Methyl-2-oxo-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]-2,3-dihydro-1,3-benzoxazole-5-sulfonamide

  • Molecular FormulaC12H13N5O4S2
  • Average mass355.393 Da
  • Monoisotopic mass355.040894 Da
  • ChemSpider ID59706573

More details:

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

3-Methyl-2-oxo-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]-2,3-dihydro-1,3-benzoxazol-5-sulfonamid [German] [ACD/IUPAC Name]
3-Methyl-2-oxo-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]-2,3-dihydro-1,3-benzoxazole-5-sulfonamide [ACD/IUPAC Name]
3-Méthyl-2-oxo-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)éthyl]-2,3-dihydro-1,3-benzoxazole-5-sulfonamide [French] [ACD/IUPAC Name]
5-Benzoxazolesulfonamide, 2,3-dihydro-3-methyl-2-oxo-N-[2-(1H-1,2,4-triazol-5-ylthio)ethyl]- [ACD/Index Name]
3-methyl-2-oxo-N-[2-(1H-1,2,4-triazol-5-ylthio)ethyl]-2,3-dihydro-1,3-benzoxazole-5-sulfonamide

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

Density: 1.7±0.1 g/cm3
Boiling Point: 649.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.7±3.0 kJ/mol
Flash Point: 346.5±34.3 °C
Index of Refraction: 1.718
Molar Refractivity: 83.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.34
ACD/LogD (pH 5.5): 0.71
ACD/BCF (pH 5.5): 2.03
ACD/KOC (pH 5.5): 57.79
ACD/LogD (pH 7.4): 0.69
ACD/BCF (pH 7.4): 1.97
ACD/KOC (pH 7.4): 56.14
Polar Surface Area: 151 Å2
Polarizability: 33.2±0.5 10-24cm3
Surface Tension: 98.7±5.0 dyne/cm
Molar Volume: 212.3±5.0 cm3

Click to predict properties on the Chemicalize site


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