ChemSpider 2D Image | 2-{4-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-1-piperazinyl}-5-nitronicotinonitrile | C15H16N6O5S

2-{4-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-1-piperazinyl}-5-nitronicotinonitrile

  • Molecular FormulaC15H16N6O5S
  • Average mass392.390 Da
  • Monoisotopic mass392.090302 Da
  • ChemSpider ID22485676

More details:

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

2-{4-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-1-piperazinyl}-5-nitronicotinonitril [German] [ACD/IUPAC Name]
2-{4-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-1-piperazinyl}-5-nitronicotinonitrile [ACD/IUPAC Name]
2-{4-[(3,5-Diméthyl-1,2-oxazol-4-yl)sulfonyl]-1-pipérazinyl}-5-nitronicotinonitrile [French] [ACD/IUPAC Name]
3-Pyridinecarbonitrile, 2-[4-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-1-piperazinyl]-5-nitro- [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: 651.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.9±3.0 kJ/mol
Flash Point: 347.5±34.3 °C
Index of Refraction: 1.662
Molar Refractivity: 92.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 0.70
ACD/LogD (pH 5.5): 1.21
ACD/BCF (pH 5.5): 4.86
ACD/KOC (pH 5.5): 107.87
ACD/LogD (pH 7.4): 1.21
ACD/BCF (pH 7.4): 4.86
ACD/KOC (pH 7.4): 107.88
Polar Surface Area: 158 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 89.4±5.0 dyne/cm
Molar Volume: 249.8±5.0 cm3

Click to predict properties on the Chemicalize site


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