ChemSpider 2D Image | 1-{4-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-1-piperazinyl}-2-{[5-(2-furyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethanone | C17H19N5O6S2

1-{4-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-1-piperazinyl}-2-{[5-(2-furyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethanone

  • Molecular FormulaC17H19N5O6S2
  • Average mass453.493 Da
  • Monoisotopic mass453.077667 Da
  • ChemSpider ID21725961

More details:

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

1-{4-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-1-piperazinyl}-2-{[5-(2-furyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethanon [German] [ACD/IUPAC Name]
1-{4-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-1-piperazinyl}-2-{[5-(2-furyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethanone [ACD/IUPAC Name]
1-{4-[(3,5-Diméthyl-1,2-oxazol-4-yl)sulfonyl]-1-pipérazinyl}-2-{[5-(2-furyl)-1,3,4-oxadiazol-2-yl]sulfanyl}éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[4-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-1-piperazinyl]-2-[[5-(2-furanyl)-1,3,4-oxadiazol-2-yl]thio]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 702.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.8±3.0 kJ/mol
Flash Point: 378.5±35.7 °C
Index of Refraction: 1.662
Molar Refractivity: 106.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 1.39
ACD/LogD (pH 5.5): 1.05
ACD/BCF (pH 5.5): 3.70
ACD/KOC (pH 5.5): 88.86
ACD/LogD (pH 7.4): 1.05
ACD/BCF (pH 7.4): 3.70
ACD/KOC (pH 7.4): 88.86
Polar Surface Area: 169 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 86.2±5.0 dyne/cm
Molar Volume: 288.5±5.0 cm3

Click to predict properties on the Chemicalize site


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