ChemSpider 2D Image | 2-[5-Chloro-2-(ethylsulfanyl)phenyl]-N-{1-[4-(3-methylbenzyl)-1-piperazinyl]-1-oxo-2-hexanyl}acetamide | C28H38ClN3O2S

2-[5-Chloro-2-(ethylsulfanyl)phenyl]-N-{1-[4-(3-methylbenzyl)-1-piperazinyl]-1-oxo-2-hexanyl}acetamide

  • Molecular FormulaC28H38ClN3O2S
  • Average mass516.138 Da
  • Monoisotopic mass515.237305 Da
  • ChemSpider ID117760548

More details:

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

2-[5-Chlor-2-(ethylsulfanyl)phenyl]-N-{1-[4-(3-methylbenzyl)-1-piperazinyl]-1-oxo-2-hexanyl}acetamid [German] [ACD/IUPAC Name]
2-[5-Chloro-2-(ethylsulfanyl)phenyl]-N-{1-[4-(3-methylbenzyl)-1-piperazinyl]-1-oxo-2-hexanyl}acetamide [ACD/IUPAC Name]
2-[5-Chloro-2-(éthylsulfanyl)phényl]-N-{1-[4-(3-méthylbenzyl)-1-pipérazinyl]-1-oxo-2-hexanyl}acétamide [French] [ACD/IUPAC Name]
Benzeneacetamide, 5-chloro-2-(ethylthio)-N-[1-[[4-[(3-methylphenyl)methyl]-1-piperazinyl]carbonyl]pentyl]- [ACD/Index 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: 693.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.7±3.0 kJ/mol
Flash Point: 373.5±31.5 °C
Index of Refraction: 1.604
Molar Refractivity: 148.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.55
ACD/LogD (pH 5.5): 5.31
ACD/BCF (pH 5.5): 4886.15
ACD/KOC (pH 5.5): 11099.14
ACD/LogD (pH 7.4): 5.78
ACD/BCF (pH 7.4): 14439.36
ACD/KOC (pH 7.4): 32799.79
Polar Surface Area: 78 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 53.8±5.0 dyne/cm
Molar Volume: 429.9±5.0 cm3

Click to predict properties on the Chemicalize site


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