ChemSpider 2D Image | Dodecyl (1-{[(2-methylphenyl)acetyl]carbamothioyl}-3-oxo-2-piperazinyl)acetate | C28H43N3O4S

Dodecyl (1-{[(2-methylphenyl)acetyl]carbamothioyl}-3-oxo-2-piperazinyl)acetate

  • Molecular FormulaC28H43N3O4S
  • Average mass517.724 Da
  • Monoisotopic mass517.297424 Da
  • ChemSpider ID20735839

More details:

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

(1-{[2-(2-Méthylphényl)acétyl]carbamothioyl}-3-oxo-2-pipérazinyl)acétate de dodécyle [French] [ACD/IUPAC Name]
2-Piperazineacetic acid, 1-[[[2-(2-methylphenyl)acetyl]amino]thioxomethyl]-3-oxo-, dodecyl ester [ACD/Index Name]
Dodecyl (1-{[(2-methylphenyl)acetyl]carbamothioyl}-3-oxo-2-piperazinyl)acetate [ACD/IUPAC Name]
Dodecyl-(1-{[(2-methylphenyl)acetyl]carbamothioyl}-3-oxo-2-piperazinyl)acetat [German] [ACD/IUPAC Name]
2-piperazineacetic acid, 1-[[[(2-methylphenyl)acetyl]amino]thioxomethyl]-3-oxo-, dodecyl ester
dodecyl [1-({[(2-methylphenyl)acetyl]amino}carbonothioyl)-3-oxo-2-piperazinyl]acetate
DODECYL 2-(1-{[2-(2-METHYLPHENYL)ACETAMIDO]METHANETHIOYL}-3-OXOPIPERAZIN-2-YL)ACETATE

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.538
Molar Refractivity: 146.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 5.33
ACD/LogD (pH 5.5): 6.15
ACD/BCF (pH 5.5): 27913.73
ACD/KOC (pH 5.5): 52953.20
ACD/LogD (pH 7.4): 6.15
ACD/BCF (pH 7.4): 27755.58
ACD/KOC (pH 7.4): 52653.18
Polar Surface Area: 120 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 45.9±3.0 dyne/cm
Molar Volume: 467.7±3.0 cm3

Click to predict properties on the Chemicalize site


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