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

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

  • Molecular FormulaC28H43N3O4S
  • Average mass517.724 Da
  • Monoisotopic mass517.297424 Da
  • ChemSpider ID12570993

More details:

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

{3-Oxo-1-[(3-phénylpropanoyl)carbamothioyl]-2-pipérazinyl}acétate de dodécyle [French] [ACD/IUPAC Name]
2-Piperazineacetic acid, 3-oxo-1-[[(1-oxo-3-phenylpropyl)amino]thioxomethyl]-, dodecyl ester [ACD/Index Name]
Dodecyl {3-oxo-1-[(3-phenylpropanoyl)carbamothioyl]-2-piperazinyl}acetate [ACD/IUPAC Name]
Dodecyl-{3-oxo-1-[(3-phenylpropanoyl)carbamothioyl]-2-piperazinyl}acetat [German] [ACD/IUPAC Name]
dodecyl (3-oxo-1-{[(3-phenylpropanoyl)amino]carbonothioyl}-2-piperazinyl)acetate
DODECYL 2-{3-OXO-1-[(3-PHENYLPROPANAMIDO)METHANETHIOYL]PIPERAZIN-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: 1.537
Molar Refractivity: 146.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 5.29
ACD/LogD (pH 5.5): 6.06
ACD/BCF (pH 5.5): 23593.78
ACD/KOC (pH 5.5): 46949.33
ACD/LogD (pH 7.4): 6.05
ACD/BCF (pH 7.4): 23527.14
ACD/KOC (pH 7.4): 46816.73
Polar Surface Area: 120 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 46.1±3.0 dyne/cm
Molar Volume: 468.0±3.0 cm3

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