ChemSpider 2D Image | 2-{[6-(3,5-Dimethyl-1H-pyrazol-1-yl)-3-pyridazinyl]sulfanyl}-1-[4-(2-nitrophenyl)-1-piperazinyl]ethanone | C21H23N7O3S

2-{[6-(3,5-Dimethyl-1H-pyrazol-1-yl)-3-pyridazinyl]sulfanyl}-1-[4-(2-nitrophenyl)-1-piperazinyl]ethanone

  • Molecular FormulaC21H23N7O3S
  • Average mass453.517 Da
  • Monoisotopic mass453.158295 Da
  • ChemSpider ID22099513

More details:

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

2-{[6-(3,5-Dimethyl-1H-pyrazol-1-yl)-3-pyridazinyl]sulfanyl}-1-[4-(2-nitrophenyl)-1-piperazinyl]ethanon [German] [ACD/IUPAC Name]
2-{[6-(3,5-Dimethyl-1H-pyrazol-1-yl)-3-pyridazinyl]sulfanyl}-1-[4-(2-nitrophenyl)-1-piperazinyl]ethanone [ACD/IUPAC Name]
2-{[6-(3,5-Diméthyl-1H-pyrazol-1-yl)-3-pyridazinyl]sulfanyl}-1-[4-(2-nitrophényl)-1-pipérazinyl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-[[6-(3,5-dimethyl-1H-pyrazol-1-yl)-3-pyridazinyl]thio]-1-[4-(2-nitrophenyl)-1-piperazinyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 716.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.7±3.0 kJ/mol
Flash Point: 387.0±32.9 °C
Index of Refraction: 1.708
Molar Refractivity: 124.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 2.50
ACD/BCF (pH 5.5): 46.95
ACD/KOC (pH 5.5): 547.21
ACD/LogD (pH 7.4): 2.50
ACD/BCF (pH 7.4): 46.95
ACD/KOC (pH 7.4): 547.22
Polar Surface Area: 138 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 62.1±7.0 dyne/cm
Molar Volume: 318.2±7.0 cm3

Click to predict properties on the Chemicalize site


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