ChemSpider 2D Image | (2E)-3-(4-{[6-(4-Morpholinyl)hexyl]sulfanyl}phenyl)-1-phenyl-2-propen-1-one | C25H31NO2S

(2E)-3-(4-{[6-(4-Morpholinyl)hexyl]sulfanyl}phenyl)-1-phenyl-2-propen-1-one

  • Molecular FormulaC25H31NO2S
  • Average mass409.584 Da
  • Monoisotopic mass409.207550 Da
  • ChemSpider ID24697016

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(4-{[6-(4-Morpholinyl)hexyl]sulfanyl}phenyl)-1-phenyl-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-3-(4-{[6-(4-Morpholinyl)hexyl]sulfanyl}phenyl)-1-phenyl-2-propen-1-one [ACD/IUPAC Name]
(2E)-3-(4-{[6-(4-Morpholinyl)hexyl]sulfanyl}phényl)-1-phényl-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 3-[4-[[6-(4-morpholinyl)hexyl]thio]phenyl]-1-phenyl-, (2E)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 568.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.3±3.0 kJ/mol
Flash Point: 297.5±30.1 °C
Index of Refraction: 1.602
Molar Refractivity: 123.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 5.54
ACD/LogD (pH 5.5): 3.05
ACD/BCF (pH 5.5): 39.74
ACD/KOC (pH 5.5): 127.07
ACD/LogD (pH 7.4): 4.70
ACD/BCF (pH 7.4): 1758.65
ACD/KOC (pH 7.4): 5622.44
Polar Surface Area: 55 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 50.7±5.0 dyne/cm
Molar Volume: 359.4±5.0 cm3

Click to predict properties on the Chemicalize site


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