ChemSpider 2D Image | 1-{4-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-1-piperazinyl}-2-[(3-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]ethanone | C14H20N6O4S2

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

  • Molecular FormulaC14H20N6O4S2
  • Average mass400.476 Da
  • Monoisotopic mass400.098755 Da
  • ChemSpider ID22099714

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

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

Density: 1.5±0.1 g/cm3
Boiling Point: 707.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.4±3.0 kJ/mol
Flash Point: 381.5±35.7 °C
Index of Refraction: 1.654
Molar Refractivity: 95.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -0.47
ACD/LogD (pH 5.5): 0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 29.41
ACD/LogD (pH 7.4): 0.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 28.96
Polar Surface Area: 159 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 86.8±5.0 dyne/cm
Molar Volume: 260.9±5.0 cm3

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