ChemSpider 2D Image | 2-(3-Nitro-1H-pyrazol-1-yl)-1-(4-{3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propyl}-1-piperazinyl)ethanone | C18H21N7O4S

2-(3-Nitro-1H-pyrazol-1-yl)-1-(4-{3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propyl}-1-piperazinyl)ethanone

  • Molecular FormulaC18H21N7O4S
  • Average mass431.469 Da
  • Monoisotopic mass431.137573 Da
  • ChemSpider ID31600955

More details:

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

2-(3-Nitro-1H-pyrazol-1-yl)-1-(4-{3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propyl}-1-piperazinyl)ethanon [German] [ACD/IUPAC Name]
2-(3-Nitro-1H-pyrazol-1-yl)-1-(4-{3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propyl}-1-piperazinyl)ethanone [ACD/IUPAC Name]
2-(3-Nitro-1H-pyrazol-1-yl)-1-(4-{3-[3-(2-thiényl)-1,2,4-oxadiazol-5-yl]propyl}-1-pipérazinyl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-(3-nitro-1H-pyrazol-1-yl)-1-[4-[3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propyl]-1-piperazinyl]- [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: 683.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.3±3.0 kJ/mol
Flash Point: 367.3±34.3 °C
Index of Refraction: 1.738
Molar Refractivity: 112.0±0.5 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 1.80
ACD/LogD (pH 5.5): 0.77
ACD/BCF (pH 5.5): 1.60
ACD/KOC (pH 5.5): 32.36
ACD/LogD (pH 7.4): 1.37
ACD/BCF (pH 7.4): 6.45
ACD/KOC (pH 7.4): 130.75
Polar Surface Area: 154 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 72.4±7.0 dyne/cm
Molar Volume: 278.3±7.0 cm3

Click to predict properties on the Chemicalize site


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