ChemSpider 2D Image | Decyl (1-{[4-(2-ethoxyethoxy)benzoyl]carbamothioyl}-3-oxo-2-piperazinyl)acetate | C28H43N3O6S

Decyl (1-{[4-(2-ethoxyethoxy)benzoyl]carbamothioyl}-3-oxo-2-piperazinyl)acetate

  • Molecular FormulaC28H43N3O6S
  • Average mass549.722 Da
  • Monoisotopic mass549.287231 Da
  • ChemSpider ID12573800

More details:

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

(1-{[4-(2-Éthoxyéthoxy)benzoyl]carbamothioyl}-3-oxo-2-pipérazinyl)acétate de décyle [French] [ACD/IUPAC Name]
2-Piperazineacetic acid, 1-[[[4-(2-ethoxyethoxy)benzoyl]amino]thioxomethyl]-3-oxo-, decyl ester [ACD/Index Name]
Decyl (1-{[4-(2-ethoxyethoxy)benzoyl]carbamothioyl}-3-oxo-2-piperazinyl)acetate [ACD/IUPAC Name]
Decyl-(1-{[4-(2-ethoxyethoxy)benzoyl]carbamothioyl}-3-oxo-2-piperazinyl)acetat [German] [ACD/IUPAC Name]
decyl [1-({[4-(2-ethoxyethoxy)benzoyl]amino}carbonothioyl)-3-oxo-2-piperazinyl]acetate
DECYL 2-[1-({[4-(2-ETHOXYETHOXY)PHENYL]FORMAMIDO}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: 1.534
Molar Refractivity: 150.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 1
ACD/LogP: 4.15
ACD/LogD (pH 5.5): 4.82
ACD/BCF (pH 5.5): 2708.24
ACD/KOC (pH 5.5): 9969.45
ACD/LogD (pH 7.4): 4.81
ACD/BCF (pH 7.4): 2637.87
ACD/KOC (pH 7.4): 9710.39
Polar Surface Area: 138 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 45.9±3.0 dyne/cm
Molar Volume: 483.4±3.0 cm3

Click to predict properties on the Chemicalize site


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