ChemSpider 2D Image | Dodecyl {1-[(3-isobutoxybenzoyl)carbamothioyl]-3-oxo-2-piperazinyl}acetate | C30H47N3O5S

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

  • Molecular FormulaC30H47N3O5S
  • Average mass561.776 Da
  • Monoisotopic mass561.323669 Da
  • ChemSpider ID12586369

More details:

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

{1-[(3-Isobutoxybenzoyl)carbamothioyl]-3-oxo-2-pipérazinyl}acétate de dodécyle [French] [ACD/IUPAC Name]
2-Piperazineacetic acid, 1-[[[3-(2-methylpropoxy)benzoyl]amino]thioxomethyl]-3-oxo-, dodecyl ester [ACD/Index Name]
Dodecyl {1-[(3-isobutoxybenzoyl)carbamothioyl]-3-oxo-2-piperazinyl}acetate [ACD/IUPAC Name]
Dodecyl-{1-[(3-isobutoxybenzoyl)carbamothioyl]-3-oxo-2-piperazinyl}acetat [German] [ACD/IUPAC Name]
dodecyl (1-{[(3-isobutoxybenzoyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate
DODECYL 2-[1-({[3-(2-METHYLPROPOXY)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: 1.530
Molar Refractivity: 157.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 2
ACD/LogP: 6.42
ACD/LogD (pH 5.5): 6.65
ACD/BCF (pH 5.5): 66594.69
ACD/KOC (pH 5.5): 98652.09
ACD/LogD (pH 7.4): 6.63
ACD/BCF (pH 7.4): 62901.26
ACD/KOC (pH 7.4): 93180.71
Polar Surface Area: 129 Å2
Polarizability: 62.5±0.5 10-24cm3
Surface Tension: 44.1±3.0 dyne/cm
Molar Volume: 510.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement