ChemSpider 2D Image | 2-[(4-Chlorobenzyl)sulfanyl]-N-{2-[4-(4-fluorophenyl)-1-piperazinyl]ethyl}acetamide | C21H25ClFN3OS

2-[(4-Chlorobenzyl)sulfanyl]-N-{2-[4-(4-fluorophenyl)-1-piperazinyl]ethyl}acetamide

  • Molecular FormulaC21H25ClFN3OS
  • Average mass421.959 Da
  • Monoisotopic mass421.139099 Da
  • ChemSpider ID33367907

More details:

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

2-[(4-Chlorbenzyl)sulfanyl]-N-{2-[4-(4-fluorphenyl)-1-piperazinyl]ethyl}acetamid [German] [ACD/IUPAC Name]
2-[(4-Chlorobenzyl)sulfanyl]-N-{2-[4-(4-fluorophenyl)-1-piperazinyl]ethyl}acetamide [ACD/IUPAC Name]
2-[(4-Chlorobenzyl)sulfanyl]-N-{2-[4-(4-fluorophényl)-1-pipérazinyl]éthyl}acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[[(4-chlorophenyl)methyl]thio]-N-[2-[4-(4-fluorophenyl)-1-piperazinyl]ethyl]- [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: 612.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.9±3.0 kJ/mol
Flash Point: 324.0±31.5 °C
Index of Refraction: 1.594
Molar Refractivity: 114.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.78
ACD/LogD (pH 5.5): 3.03
ACD/BCF (pH 5.5): 63.40
ACD/KOC (pH 5.5): 324.01
ACD/LogD (pH 7.4): 4.09
ACD/BCF (pH 7.4): 736.22
ACD/KOC (pH 7.4): 3762.67
Polar Surface Area: 61 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 49.2±3.0 dyne/cm
Molar Volume: 336.6±3.0 cm3

Click to predict properties on the Chemicalize site


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