ChemSpider 2D Image | 2-[5-Chloro-2-(ethylsulfanyl)phenyl]-N-{6-oxo-6-[4-(2-pyridinyl)-1-piperazinyl]hexyl}acetamide | C25H33ClN4O2S

2-[5-Chloro-2-(ethylsulfanyl)phenyl]-N-{6-oxo-6-[4-(2-pyridinyl)-1-piperazinyl]hexyl}acetamide

  • Molecular FormulaC25H33ClN4O2S
  • Average mass489.073 Da
  • Monoisotopic mass488.201263 Da
  • ChemSpider ID66833467

More details:

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

2-[5-Chlor-2-(ethylsulfanyl)phenyl]-N-{6-oxo-6-[4-(2-pyridinyl)-1-piperazinyl]hexyl}acetamid [German] [ACD/IUPAC Name]
2-[5-Chloro-2-(ethylsulfanyl)phenyl]-N-{6-oxo-6-[4-(2-pyridinyl)-1-piperazinyl]hexyl}acetamide [ACD/IUPAC Name]
2-[5-Chloro-2-(éthylsulfanyl)phényl]-N-{6-oxo-6-[4-(2-pyridinyl)-1-pipérazinyl]hexyl}acétamide [French] [ACD/IUPAC Name]
Benzeneacetamide, 5-chloro-2-(ethylthio)-N-[6-oxo-6-[4-(2-pyridinyl)-1-piperazinyl]hexyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 734.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.1±3.0 kJ/mol
Flash Point: 397.8±32.9 °C
Index of Refraction: 1.616
Molar Refractivity: 136.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.43
ACD/LogD (pH 5.5): 1.93
ACD/BCF (pH 5.5): 4.68
ACD/KOC (pH 5.5): 22.31
ACD/LogD (pH 7.4): 3.23
ACD/BCF (pH 7.4): 93.10
ACD/KOC (pH 7.4): 443.79
Polar Surface Area: 91 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 59.3±5.0 dyne/cm
Molar Volume: 390.5±5.0 cm3

Click to predict properties on the Chemicalize site


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