ChemSpider 2D Image | 5-{4-[(5-Chloro-1-methyl-1H-imidazol-4-yl)sulfonyl]-1-piperazinyl}-2-(2-furyl)-1,3-oxazole-4-carbonitrile | C16H15ClN6O4S

5-{4-[(5-Chloro-1-methyl-1H-imidazol-4-yl)sulfonyl]-1-piperazinyl}-2-(2-furyl)-1,3-oxazole-4-carbonitrile

  • Molecular FormulaC16H15ClN6O4S
  • Average mass422.846 Da
  • Monoisotopic mass422.056396 Da
  • ChemSpider ID31491224

More details:

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

4-Oxazolecarbonitrile, 5-[4-[(5-chloro-1-methyl-1H-imidazol-4-yl)sulfonyl]-1-piperazinyl]-2-(2-furanyl)- [ACD/Index Name]
5-{4-[(5-Chlor-1-methyl-1H-imidazol-4-yl)sulfonyl]-1-piperazinyl}-2-(2-furyl)-1,3-oxazol-4-carbonitril [German] [ACD/IUPAC Name]
5-{4-[(5-Chloro-1-methyl-1H-imidazol-4-yl)sulfonyl]-1-piperazinyl}-2-(2-furyl)-1,3-oxazole-4-carbonitrile [ACD/IUPAC Name]
5-{4-[(5-Chloro-1-méthyl-1H-imidazol-4-yl)sulfonyl]-1-pipérazinyl}-2-(2-furyl)-1,3-oxazole-4-carbonitrile [French] [ACD/IUPAC 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: 725.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 105.9±3.0 kJ/mol
Flash Point: 392.6±35.7 °C
Index of Refraction: 1.736
Molar Refractivity: 102.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -0.85
ACD/LogD (pH 5.5): 0.52
ACD/BCF (pH 5.5): 1.47
ACD/KOC (pH 5.5): 45.82
ACD/LogD (pH 7.4): 0.52
ACD/BCF (pH 7.4): 1.47
ACD/KOC (pH 7.4): 45.83
Polar Surface Area: 130 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 70.5±7.0 dyne/cm
Molar Volume: 256.3±7.0 cm3

Click to predict properties on the Chemicalize site


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