ChemSpider 2D Image | 2-[(2-{[5-Chloro-2-(4-methyl-1-piperazinyl)phenyl]amino}-2-oxoethyl)sulfanyl]-N-(3-methylphenyl)acetamide | C22H27ClN4O2S

2-[(2-{[5-Chloro-2-(4-methyl-1-piperazinyl)phenyl]amino}-2-oxoethyl)sulfanyl]-N-(3-methylphenyl)acetamide

  • Molecular FormulaC22H27ClN4O2S
  • Average mass446.993 Da
  • Monoisotopic mass446.154327 Da
  • ChemSpider ID21955011

More details:

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

2-[(2-{[5-Chlor-2-(4-methyl-1-piperazinyl)phenyl]amino}-2-oxoethyl)sulfanyl]-N-(3-methylphenyl)acetamid [German] [ACD/IUPAC Name]
2-[(2-{[5-Chloro-2-(4-methyl-1-piperazinyl)phenyl]amino}-2-oxoethyl)sulfanyl]-N-(3-methylphenyl)acetamide [ACD/IUPAC Name]
2-[(2-{[5-Chloro-2-(4-méthyl-1-pipérazinyl)phényl]amino}-2-oxoéthyl)sulfanyl]-N-(3-méthylphényl)acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[[2-[[5-chloro-2-(4-methyl-1-piperazinyl)phenyl]amino]-2-oxoethyl]thio]-N-(3-methylphenyl)- [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: 678.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.6±3.0 kJ/mol
Flash Point: 364.2±31.5 °C
Index of Refraction: 1.653
Molar Refractivity: 125.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.00
ACD/LogD (pH 5.5): 2.14
ACD/BCF (pH 5.5): 9.01
ACD/KOC (pH 5.5): 49.89
ACD/LogD (pH 7.4): 3.71
ACD/BCF (pH 7.4): 332.23
ACD/KOC (pH 7.4): 1839.18
Polar Surface Area: 90 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 60.6±3.0 dyne/cm
Molar Volume: 342.0±3.0 cm3

Click to predict properties on the Chemicalize site


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