ChemSpider 2D Image | 5-[4-(Benzylsulfonyl)-1-piperazinyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitroaniline | C27H32N4O6S

5-[4-(Benzylsulfonyl)-1-piperazinyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitroaniline

  • Molecular FormulaC27H32N4O6S
  • Average mass540.631 Da
  • Monoisotopic mass540.204285 Da
  • ChemSpider ID2176671

More details:

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

5-[4-(Benzylsulfonyl)-1-piperazinyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitroanilin [German] [ACD/IUPAC Name]
5-[4-(Benzylsulfonyl)-1-piperazinyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitroaniline [ACD/IUPAC Name]
5-[4-(Benzylsulfonyl)-1-pipérazinyl]-N-[2-(3,4-diméthoxyphényl)éthyl]-2-nitroaniline [French] [ACD/IUPAC Name]
5-[4-(benzylsulfonyl)piperazin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitroaniline
Benzeneethanamine, 3,4-dimethoxy-N-[2-nitro-5-[4-[(phenylmethyl)sulfonyl]-1-piperazinyl]phenyl]- [ACD/Index Name]
[2-(3,4-Dimethoxy-phenyl)-ethyl]-[2-nitro-5-(4-phenylmethanesulfonyl-piperazin-1-yl)-phenyl]-amine
347355-98-0 [RN]
4-(3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-nitrophenyl)-1-[benzylsulfonyl]piperazine
5-(4-benzylsulfonylpiperazin-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitroaniline

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

A2546/0108384 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 756.0±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 110.1±3.0 kJ/mol
    Flash Point: 411.0±35.7 °C
    Index of Refraction: 1.652
    Molar Refractivity: 145.5±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 1
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 3
    ACD/LogP: 5.93
    ACD/LogD (pH 5.5): 4.91
    ACD/BCF (pH 5.5): 3185.85
    ACD/KOC (pH 5.5): 11199.38
    ACD/LogD (pH 7.4): 4.91
    ACD/BCF (pH 7.4): 3186.11
    ACD/KOC (pH 7.4): 11200.26
    Polar Surface Area: 125 Å2
    Polarizability: 57.7±0.5 10-24cm3
    Surface Tension: 66.1±5.0 dyne/cm
    Molar Volume: 398.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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