ChemSpider 2D Image | 2-{[1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-azetidinyl]sulfonyl}-1-methyl-1H-imidazole | C15H17N3O6S2

2-{[1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-azetidinyl]sulfonyl}-1-methyl-1H-imidazole

  • Molecular FormulaC15H17N3O6S2
  • Average mass399.442 Da
  • Monoisotopic mass399.055878 Da
  • ChemSpider ID35011667

More details:

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

1H-Imidazole, 2-[[1-[(2,3-dihydro-1,4-benzodioxin-6-yl)sulfonyl]-3-azetidinyl]sulfonyl]-1-methyl- [ACD/Index Name]
2-{[1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-azetidinyl]sulfonyl}-1-methyl-1H-imidazol [German] [ACD/IUPAC Name]
2-{[1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-azetidinyl]sulfonyl}-1-methyl-1H-imidazole [ACD/IUPAC Name]
2-{[1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-azétidinyl]sulfonyl}-1-méthyl-1H-imidazole [French] [ACD/IUPAC Name]
2-((1-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)sulfonyl)azetidin-3-yl)sulfonyl)-1-methyl-1H-imidazole
2-{[1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)azetidin-3-yl]sulfonyl}-1-methyl-1H-imidazole
2034261-81-7 [RN]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 643.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.9±3.0 kJ/mol
Flash Point: 342.8±34.3 °C
Index of Refraction: 1.722
Molar Refractivity: 94.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.25
ACD/LogD (pH 5.5): 1.27
ACD/BCF (pH 5.5): 5.40
ACD/KOC (pH 5.5): 116.43
ACD/LogD (pH 7.4): 1.27
ACD/BCF (pH 7.4): 5.40
ACD/KOC (pH 7.4): 116.45
Polar Surface Area: 125 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 71.7±7.0 dyne/cm
Molar Volume: 239.0±7.0 cm3

Click to predict properties on the Chemicalize site


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