ChemSpider 2D Image | 4-{[3-(3-Furyl)-1,2,4-oxadiazol-5-yl]methyl}-1,4-diazepane-1-sulfonamide | C12H17N5O4S

4-{[3-(3-Furyl)-1,2,4-oxadiazol-5-yl]methyl}-1,4-diazepane-1-sulfonamide

  • Molecular FormulaC12H17N5O4S
  • Average mass327.359 Da
  • Monoisotopic mass327.100128 Da
  • ChemSpider ID30378416

More details:

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

1H-1,4-Diazepine-1-sulfonamide, 4-[[3-(3-furanyl)-1,2,4-oxadiazol-5-yl]methyl]hexahydro- [ACD/Index Name]
4-{[3-(3-Furyl)-1,2,4-oxadiazol-5-yl]methyl}-1,4-diazepan-1-sulfonamid [German] [ACD/IUPAC Name]
4-{[3-(3-Furyl)-1,2,4-oxadiazol-5-yl]methyl}-1,4-diazepane-1-sulfonamide [ACD/IUPAC Name]
4-{[3-(3-Furyl)-1,2,4-oxadiazol-5-yl]méthyl}-1,4-diazépane-1-sulfonamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 531.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.7±3.0 kJ/mol
Flash Point: 275.2±32.9 °C
Index of Refraction: 1.642
Molar Refractivity: 78.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.07
ACD/LogD (pH 5.5): -0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 19.23
ACD/LogD (pH 7.4): -0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 19.94
Polar Surface Area: 127 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 82.5±5.0 dyne/cm
Molar Volume: 215.8±5.0 cm3

Click to predict properties on the Chemicalize site


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