ChemSpider 2D Image | 3-(1,3-Benzodioxol-5-yl)-5-{[(2,5-dimethoxyphenyl)sulfonyl]methyl}-1,2,4-oxadiazole | C18H16N2O7S

3-(1,3-Benzodioxol-5-yl)-5-{[(2,5-dimethoxyphenyl)sulfonyl]methyl}-1,2,4-oxadiazole

  • Molecular FormulaC18H16N2O7S
  • Average mass404.394 Da
  • Monoisotopic mass404.067810 Da
  • ChemSpider ID22525229

More details:

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

1,2,4-Oxadiazole, 3-(1,3-benzodioxol-5-yl)-5-[[(2,5-dimethoxyphenyl)sulfonyl]methyl]- [ACD/Index Name]
3-(1,3-Benzodioxol-5-yl)-5-{[(2,5-dimethoxyphenyl)sulfonyl]methyl}-1,2,4-oxadiazol [German] [ACD/IUPAC Name]
3-(1,3-Benzodioxol-5-yl)-5-{[(2,5-dimethoxyphenyl)sulfonyl]methyl}-1,2,4-oxadiazole [ACD/IUPAC Name]
3-(1,3-Benzodioxol-5-yl)-5-{[(2,5-diméthoxyphényl)sulfonyl]méthyl}-1,2,4-oxadiazole [French] [ACD/IUPAC Name]
[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl (2,5-dimethoxyphenyl) sulfone
1105221-68-8 [RN]
3-(1,3-benzodioxol-5-yl)-5-[(2,5-dimethoxyphenyl)sulfonylmethyl]-1,2,4-oxadiazole
3-(2H-1,3-benzodioxol-5-yl)-5-[(2,5-dimethoxybenzenesulfonyl)methyl]-1,2,4-oxadiazole
3-(benzo[d][1,3]dioxol-5-yl)-5-(((2,5-dimethoxyphenyl)sulfonyl)methyl)-1,2,4-oxadiazole

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

Density: 1.4±0.1 g/cm3
Boiling Point: 653.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 92.7±3.0 kJ/mol
Flash Point: 348.8±34.3 °C
Index of Refraction: 1.591
Molar Refractivity: 96.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.52
ACD/LogD (pH 5.5): 1.86
ACD/BCF (pH 5.5): 15.15
ACD/KOC (pH 5.5): 243.49
ACD/LogD (pH 7.4): 1.86
ACD/BCF (pH 7.4): 15.15
ACD/KOC (pH 7.4): 243.49
Polar Surface Area: 118 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 55.8±3.0 dyne/cm
Molar Volume: 285.6±3.0 cm3

Click to predict properties on the Chemicalize site


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