ChemSpider 2D Image | Decyl (1-{[4-(2-methyl-2-propanyl)benzoyl]carbamothioyl}-3-oxo-2-piperazinyl)acetate | C28H43N3O4S

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

  • Molecular FormulaC28H43N3O4S
  • Average mass517.724 Da
  • Monoisotopic mass517.297424 Da
  • ChemSpider ID12572767

More details:

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

(1-{[4-(2-Méthyl-2-propanyl)benzoyl]carbamothioyl}-3-oxo-2-pipérazinyl)acétate de décyle [French] [ACD/IUPAC Name]
2-Piperazineacetic acid, 1-[[[4-(1,1-dimethylethyl)benzoyl]amino]thioxomethyl]-3-oxo-, decyl ester [ACD/Index Name]
Decyl (1-{[4-(2-methyl-2-propanyl)benzoyl]carbamothioyl}-3-oxo-2-piperazinyl)acetate [ACD/IUPAC Name]
Decyl-(1-{[4-(2-methyl-2-propanyl)benzoyl]carbamothioyl}-3-oxo-2-piperazinyl)acetat [German] [ACD/IUPAC Name]
decyl (1-{[(4-tert-butylbenzoyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate
DECYL 2-(1-{[(4-TERT-BUTYLPHENYL)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: 1.535
Molar Refractivity: 146.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 5.47
ACD/LogD (pH 5.5): 6.18
ACD/BCF (pH 5.5): 29051.57
ACD/KOC (pH 5.5): 54485.86
ACD/LogD (pH 7.4): 6.16
ACD/BCF (pH 7.4): 28371.72
ACD/KOC (pH 7.4): 53210.80
Polar Surface Area: 120 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 44.4±3.0 dyne/cm
Molar Volume: 470.2±3.0 cm3

Click to predict properties on the Chemicalize site


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