ChemSpider 2D Image | 3-(3-{[4-(Ethylsulfonyl)-1-piperazinyl]methyl}-1,2,4-oxadiazol-5-yl)propanoic acid | C12H20N4O5S

3-(3-{[4-(Ethylsulfonyl)-1-piperazinyl]methyl}-1,2,4-oxadiazol-5-yl)propanoic acid

  • Molecular FormulaC12H20N4O5S
  • Average mass332.376 Da
  • Monoisotopic mass332.115448 Da
  • ChemSpider ID27452555

More details:

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

1,2,4-Oxadiazole-5-propanoic acid, 3-[[4-(ethylsulfonyl)-1-piperazinyl]methyl]- [ACD/Index Name]
3-(3-{[4-(Ethylsulfonyl)-1-piperazinyl]methyl}-1,2,4-oxadiazol-5-yl)propanoic acid [ACD/IUPAC Name]
3-(3-{[4-(Ethylsulfonyl)-1-piperazinyl]methyl}-1,2,4-oxadiazol-5-yl)propansäure [German] [ACD/IUPAC Name]
Acide 3-(3-{[4-(éthylsulfonyl)-1-pipérazinyl]méthyl}-1,2,4-oxadiazol-5-yl)propanoïque [French] [ACD/IUPAC Name]
3-(3-{[4-(ethylsulfonyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)propanoic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 551.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.5±3.0 kJ/mol
Flash Point: 287.0±32.9 °C
Index of Refraction: 1.588
Molar Refractivity: 77.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.09
ACD/LogD (pH 5.5): -1.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 125 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 73.9±5.0 dyne/cm
Molar Volume: 229.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement