ChemSpider 2D Image | N-[2-(3,4-Dimethoxyphenyl)ethyl]-5-{4-[(4-methylphenyl)sulfonyl]-1-piperazinyl}-2-nitroaniline | C27H32N4O6S

N-[2-(3,4-Dimethoxyphenyl)ethyl]-5-{4-[(4-methylphenyl)sulfonyl]-1-piperazinyl}-2-nitroaniline

  • Molecular FormulaC27H32N4O6S
  • Average mass540.631 Da
  • Monoisotopic mass540.204285 Da
  • ChemSpider ID3574840

More details:

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

Benzeneethanamine, 3,4-dimethoxy-N-[5-[4-[(4-methylphenyl)sulfonyl]-1-piperazinyl]-2-nitrophenyl]- [ACD/Index Name]
N-[2-(3,4-Dimethoxyphenyl)ethyl]-5-{4-[(4-methylphenyl)sulfonyl]-1-piperazinyl}-2-nitroanilin [German] [ACD/IUPAC Name]
N-[2-(3,4-Dimethoxyphenyl)ethyl]-5-{4-[(4-methylphenyl)sulfonyl]-1-piperazinyl}-2-nitroaniline [ACD/IUPAC Name]
N-[2-(3,4-Diméthoxyphényl)éthyl]-5-{4-[(4-méthylphényl)sulfonyl]-1-pipérazinyl}-2-nitroaniline [French] [ACD/IUPAC Name]
[2-(3,4-Dimethoxy-phenyl)-ethyl]-{2-nitro-5-[4-(toluene-4-sulfonyl)-piperazin-1-yl]-phenyl}-amine
1-(3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-nitrophenyl)-4-[(4-methylphenyl)sulfonyl]piperazine
347354-45-4 [RN]
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitroaniline
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-{4-[(4-methylphenyl)sulfonyl]piperazin-1-yl}-2-nitroaniline

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

A2390/0101151 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 753.0±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 109.7±3.0 kJ/mol
    Flash Point: 409.2±35.7 °C
    Index of Refraction: 1.623
    Molar Refractivity: 145.5±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 1
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 3
    ACD/LogP: 6.30
    ACD/LogD (pH 5.5): 5.24
    ACD/BCF (pH 5.5): 5672.95
    ACD/KOC (pH 5.5): 16926.14
    ACD/LogD (pH 7.4): 5.24
    ACD/BCF (pH 7.4): 5673.42
    ACD/KOC (pH 7.4): 16927.56
    Polar Surface Area: 125 Å2
    Polarizability: 57.7±0.5 10-24cm3
    Surface Tension: 56.9±3.0 dyne/cm
    Molar Volume: 412.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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