ChemSpider 2D Image | 2-(4-{6-[4-(1-Pyrrolidinylsulfonyl)-1-piperazinyl]-3-pyridazinyl}-1-piperazinyl)ethanol | C18H31N7O3S

2-(4-{6-[4-(1-Pyrrolidinylsulfonyl)-1-piperazinyl]-3-pyridazinyl}-1-piperazinyl)ethanol

  • Molecular FormulaC18H31N7O3S
  • Average mass425.549 Da
  • Monoisotopic mass425.220917 Da
  • ChemSpider ID58378817

More details:

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

1-Piperazineethanol, 4-[6-[4-(1-pyrrolidinylsulfonyl)-1-piperazinyl]-3-pyridazinyl]- [ACD/Index Name]
2-(4-{6-[4-(1-Pyrrolidinylsulfonyl)-1-piperazinyl]-3-pyridazinyl}-1-piperazinyl)ethanol [German] [ACD/IUPAC Name]
2-(4-{6-[4-(1-Pyrrolidinylsulfonyl)-1-piperazinyl]-3-pyridazinyl}-1-piperazinyl)ethanol [ACD/IUPAC Name]
2-(4-{6-[4-(1-Pyrrolidinylsulfonyl)-1-pipérazinyl]-3-pyridazinyl}-1-pipérazinyl)éthanol [French] [ACD/IUPAC Name]
2-(4-(6-(4-(pyrrolidin-1-ylsulfonyl)piperazin-1-yl)pyridazin-3-yl)piperazin-1-yl)ethanol

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

Density: 1.4±0.1 g/cm3
Boiling Point: 708.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.8±3.0 kJ/mol
Flash Point: 382.3±32.9 °C
Index of Refraction: 1.670
Molar Refractivity: 110.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -2.16
ACD/LogD (pH 5.5): -3.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.73
Polar Surface Area: 105 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 82.4±5.0 dyne/cm
Molar Volume: 296.6±5.0 cm3

Click to predict properties on the Chemicalize site


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