ChemSpider 2D Image | 3-[2-(4-{6-[4-(2-Hydroxyethyl)-1-piperazinyl]-3-pyridazinyl}-1-piperazinyl)-2-oxoethyl]-6-methyl-4(3H)-pyrimidinone | C21H30N8O3

3-[2-(4-{6-[4-(2-Hydroxyethyl)-1-piperazinyl]-3-pyridazinyl}-1-piperazinyl)-2-oxoethyl]-6-methyl-4(3H)-pyrimidinone

  • Molecular FormulaC21H30N8O3
  • Average mass442.515 Da
  • Monoisotopic mass442.244080 Da
  • ChemSpider ID58310165

More details:

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

3-[2-(4-{6-[4-(2-Hydroxyethyl)-1-piperazinyl]-3-pyridazinyl}-1-piperazinyl)-2-oxoethyl]-6-methyl-4(3H)-pyrimidinon [German] [ACD/IUPAC Name]
3-[2-(4-{6-[4-(2-Hydroxyethyl)-1-piperazinyl]-3-pyridazinyl}-1-piperazinyl)-2-oxoethyl]-6-methyl-4(3H)-pyrimidinone [ACD/IUPAC Name]
3-[2-(4-{6-[4-(2-Hydroxyéthyl)-1-pipérazinyl]-3-pyridazinyl}-1-pipérazinyl)-2-oxoéthyl]-6-méthyl-4(3H)-pyrimidinone [French] [ACD/IUPAC Name]
4(3H)-Pyrimidinone, 3-[2-[4-[6-[4-(2-hydroxyethyl)-1-piperazinyl]-3-pyridazinyl]-1-piperazinyl]-2-oxoethyl]-6-methyl- [ACD/Index Name]
3-(2-(4-(6-(4-(2-hydroxyethyl)piperazin-1-yl)pyridazin-3-yl)piperazin-1-yl)-2-oxoethyl)-6-methylpyrimidin-4(3H)-one

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

Density: 1.4±0.1 g/cm3
Boiling Point: 763.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.6±3.0 kJ/mol
Flash Point: 415.4±35.7 °C
Index of Refraction: 1.689
Molar Refractivity: 120.4±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -1.59
ACD/LogD (pH 5.5): -3.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.73
Polar Surface Area: 109 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 62.1±7.0 dyne/cm
Molar Volume: 315.4±7.0 cm3

Click to predict properties on the Chemicalize site


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