ChemSpider 2D Image | 2-{2-[(4-Chlorophenoxy)methyl]-4-[(1-methyl-1H-pyrazol-4-yl)methyl]-2-morpholinyl}-1-(4-methyl-1-piperazinyl)ethanone | C23H32ClN5O3

2-{2-[(4-Chlorophenoxy)methyl]-4-[(1-methyl-1H-pyrazol-4-yl)methyl]-2-morpholinyl}-1-(4-methyl-1-piperazinyl)ethanone

  • Molecular FormulaC23H32ClN5O3
  • Average mass461.985 Da
  • Monoisotopic mass461.219360 Da
  • ChemSpider ID68379932

More details:

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

2-{2-[(4-Chlorophenoxy)methyl]-4-[(1-methyl-1H-pyrazol-4-yl)methyl]-2-morpholinyl}-1-(4-methyl-1-piperazinyl)ethanone [ACD/IUPAC Name]
2-{2-[(4-Chlorophénoxy)méthyl]-4-[(1-méthyl-1H-pyrazol-4-yl)méthyl]-2-morpholinyl}-1-(4-méthyl-1-pipérazinyl)éthanone [French] [ACD/IUPAC Name]
2-{2-[(4-Chlorphenoxy)methyl]-4-[(1-methyl-1H-pyrazol-4-yl)methyl]-2-morpholinyl}-1-(4-methyl-1-piperazinyl)ethanon [German] [ACD/IUPAC Name]
Ethanone, 2-[2-[(4-chlorophenoxy)methyl]-4-[(1-methyl-1H-pyrazol-4-yl)methyl]-2-morpholinyl]-1-(4-methyl-1-piperazinyl)- [ACD/Index Name]
2-[2-(4-CHLOROPHENOXYMETHYL)-4-[(1-METHYLPYRAZOL-4-YL)METHYL]MORPHOLIN-2-YL]-1-(4-METHYLPIPERAZIN-1-YL)ETHANONE
2-{2-[(4-CHLOROPHENOXY)METHYL]-4-[(1-METHYL-1H-PYRAZOL-4-YL)METHYL]MORPHOLIN-2-YL}-1-(4-METHYLPIPERAZIN-1-YL)ETHAN-1-ONE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 614.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.2±3.0 kJ/mol
Flash Point: 325.7±31.5 °C
Index of Refraction: 1.616
Molar Refractivity: 125.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.48
ACD/LogD (pH 5.5): -0.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.76
ACD/LogD (pH 7.4): 1.77
ACD/BCF (pH 7.4): 12.19
ACD/KOC (pH 7.4): 193.05
Polar Surface Area: 63 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 49.2±7.0 dyne/cm
Molar Volume: 359.6±7.0 cm3

Click to predict properties on the Chemicalize site


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