ChemSpider 2D Image | 2-(4-{2-[2-Hydroxy-3-(4-thiomorpholinyl)propoxy]benzyl}-1-piperazinyl)-N-isopropylacetamide | C23H38N4O3S

2-(4-{2-[2-Hydroxy-3-(4-thiomorpholinyl)propoxy]benzyl}-1-piperazinyl)-N-isopropylacetamide

  • Molecular FormulaC23H38N4O3S
  • Average mass450.638 Da
  • Monoisotopic mass450.266449 Da
  • ChemSpider ID22165351

More details:

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

1-Piperazineacetamide, 4-[[2-[2-hydroxy-3-(4-thiomorpholinyl)propoxy]phenyl]methyl]-N-(1-methylethyl)- [ACD/Index Name]
2-(4-{2-[2-Hydroxy-3-(4-thiomorpholinyl)propoxy]benzyl}-1-piperazinyl)-N-isopropylacetamid [German] [ACD/IUPAC Name]
2-(4-{2-[2-Hydroxy-3-(4-thiomorpholinyl)propoxy]benzyl}-1-piperazinyl)-N-isopropylacetamide [ACD/IUPAC Name]
2-(4-{2-[2-Hydroxy-3-(4-thiomorpholinyl)propoxy]benzyl}-1-pipérazinyl)-N-isopropylacétamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 663.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.6±3.0 kJ/mol
Flash Point: 355.1±31.5 °C
Index of Refraction: 1.569
Molar Refractivity: 127.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 1.73
ACD/LogD (pH 5.5): -0.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.32
ACD/BCF (pH 7.4): 5.50
ACD/KOC (pH 7.4): 107.63
Polar Surface Area: 94 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 48.1±3.0 dyne/cm
Molar Volume: 388.2±3.0 cm3

Click to predict properties on the Chemicalize site


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