ChemSpider 2D Image | 3-[3-({4-[(1-Methyl-1H-imidazol-4-yl)sulfonyl]-1-piperazinyl}methyl)-1,2,4-oxadiazol-5-yl]propanoic acid | C14H20N6O5S

3-[3-({4-[(1-Methyl-1H-imidazol-4-yl)sulfonyl]-1-piperazinyl}methyl)-1,2,4-oxadiazol-5-yl]propanoic acid

  • Molecular FormulaC14H20N6O5S
  • Average mass384.411 Da
  • Monoisotopic mass384.121582 Da
  • ChemSpider ID27452559

More details:

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

1,2,4-Oxadiazole-5-propanoic acid, 3-[[4-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-1-piperazinyl]methyl]- [ACD/Index Name]
3-[3-({4-[(1-Methyl-1H-imidazol-4-yl)sulfonyl]-1-piperazinyl}methyl)-1,2,4-oxadiazol-5-yl]propanoic acid [ACD/IUPAC Name]
3-[3-({4-[(1-Methyl-1H-imidazol-4-yl)sulfonyl]-1-piperazinyl}methyl)-1,2,4-oxadiazol-5-yl]propansäure [German] [ACD/IUPAC Name]
Acide 3-[3-({4-[(1-méthyl-1H-imidazol-4-yl)sulfonyl]-1-pipérazinyl}méthyl)-1,2,4-oxadiazol-5-yl]propanoïque [French] [ACD/IUPAC Name]
3-[3-({4-[(1-methyl-1H-imidazol-4-yl)sulfonyl]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: 1.6±0.1 g/cm3
Boiling Point: 689.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.1±3.0 kJ/mol
Flash Point: 370.8±34.3 °C
Index of Refraction: 1.706
Molar Refractivity: 93.1±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -1.00
ACD/LogD (pH 5.5): -1.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 143 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 71.6±7.0 dyne/cm
Molar Volume: 239.4±7.0 cm3

Click to predict properties on the Chemicalize site


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