ChemSpider 2D Image | Benzyl {3-oxo-1-[(3,4,5-trimethoxybenzoyl)carbamothioyl]-2-piperazinyl}acetate | C24H27N3O7S

Benzyl {3-oxo-1-[(3,4,5-trimethoxybenzoyl)carbamothioyl]-2-piperazinyl}acetate

  • Molecular FormulaC24H27N3O7S
  • Average mass501.552 Da
  • Monoisotopic mass501.156982 Da
  • ChemSpider ID2253449

More details:

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

{3-Oxo-1-[(3,4,5-triméthoxybenzoyl)carbamothioyl]-2-pipérazinyl}acétate de benzyle [French] [ACD/IUPAC Name]
2-Piperazineacetic acid, 3-oxo-1-[thioxo[(3,4,5-trimethoxybenzoyl)amino]methyl]-, phenylmethyl ester [ACD/Index Name]
Benzyl {3-oxo-1-[(3,4,5-trimethoxybenzoyl)carbamothioyl]-2-piperazinyl}acetate [ACD/IUPAC Name]
Benzyl-{3-oxo-1-[(3,4,5-trimethoxybenzoyl)carbamothioyl]-2-piperazinyl}acetat [German] [ACD/IUPAC Name]
[3-Oxo-1-(3,4,5-trimethoxy-benzoylaminocarbothioyl)-piperazin-2-yl]-acetic acid benzyl ester
benzyl (3-oxo-1-{[(3,4,5-trimethoxybenzoyl)amino]carbonothioyl}-2-piperazinyl)acetate
benzyl (3-oxo-1-{[(3,4,5-trimethoxybenzoyl)amino]carbonothioyl}piperazin-2-yl)acetate
benzyl (3-oxo-1-{[(3,4,5-trimethoxyphenyl)carbonyl]carbamothioyl}piperazin-2-yl)acetate
benzyl 2-(3-oxo-1-{[(3,4,5-trimethoxybenzoyl)amino]carbothioyl}-2-piperazinyl)acetate
benzyl 2-[3-oxo-1-[(3,4,5-trimethoxybenzoyl)carbamothioyl]piperazin-2-yl]acetate
More...

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

    Density: 1.3±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.590
    Molar Refractivity: 130.8±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 2
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 2
    ACD/LogP: 0.94
    ACD/LogD (pH 5.5): 1.39
    ACD/BCF (pH 5.5): 6.71
    ACD/KOC (pH 5.5): 135.80
    ACD/LogD (pH 7.4): 1.31
    ACD/BCF (pH 7.4): 5.54
    ACD/KOC (pH 7.4): 112.09
    Polar Surface Area: 148 Å2
    Polarizability: 51.8±0.5 10-24cm3
    Surface Tension: 53.4±3.0 dyne/cm
    Molar Volume: 387.7±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement