ChemSpider 2D Image | 1-Benzyl-4-(5-{4-[(4-methylphenyl)sulfonyl]-1-piperazinyl}-2-nitrophenyl)piperazine | C28H33N5O4S

1-Benzyl-4-(5-{4-[(4-methylphenyl)sulfonyl]-1-piperazinyl}-2-nitrophenyl)piperazine

  • Molecular FormulaC28H33N5O4S
  • Average mass535.658 Da
  • Monoisotopic mass535.225342 Da
  • ChemSpider ID2188617

More details:

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

1-Benzyl-4-(5-{4-[(4-methylphenyl)sulfonyl]-1-piperazinyl}-2-nitrophenyl)piperazin [German] [ACD/IUPAC Name]
1-Benzyl-4-(5-{4-[(4-methylphenyl)sulfonyl]-1-piperazinyl}-2-nitrophenyl)piperazine [ACD/IUPAC Name]
1-Benzyl-4-(5-{4-[(4-méthylphényl)sulfonyl]-1-pipérazinyl}-2-nitrophényl)pipérazine [French] [ACD/IUPAC Name]
Piperazine, 1-[(4-methylphenyl)sulfonyl]-4-[4-nitro-3-[4-(phenylmethyl)-1-piperazinyl]phenyl]- [ACD/Index Name]
1-[(4-methylphenyl)sulfonyl]-4-{4-nitro-3-[4-benzylpiperazinyl]phenyl}piperazine
1-[3-(4-BENZYLPIPERAZIN-1-YL)-4-NITROPHENYL]-4-(4-METHYLBENZENESULFONYL)PIPERAZINE
1-benzyl-4-(5-{4-[(4-methylphenyl)sulfonyl]piperazin-1-yl}-2-nitrophenyl)piperazine
1-benzyl-4-[5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitrophenyl]piperazine
440097-71-2 [RN]

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

A3045/0128533 [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: 732.5±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 106.9±3.0 kJ/mol
    Flash Point: 396.8±35.7 °C
    Index of Refraction: 1.646
    Molar Refractivity: 148.8±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 0
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 2
    ACD/LogP: 6.01
    ACD/LogD (pH 5.5): 4.31
    ACD/BCF (pH 5.5): 797.46
    ACD/KOC (pH 5.5): 2821.60
    ACD/LogD (pH 7.4): 4.88
    ACD/BCF (pH 7.4): 3004.03
    ACD/KOC (pH 7.4): 10628.99
    Polar Surface Area: 101 Å2
    Polarizability: 59.0±0.5 10-24cm3
    Surface Tension: 58.1±3.0 dyne/cm
    Molar Volume: 409.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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