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

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

  • Molecular FormulaC28H33N5O4S
  • Average mass535.658 Da
  • Monoisotopic mass535.225342 Da
  • ChemSpider ID2193703

More details:

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

1-Benzyl-4-{5-[4-(benzylsulfonyl)-1-piperazinyl]-2-nitrophenyl}piperazin [German] [ACD/IUPAC Name]
1-Benzyl-4-{5-[4-(benzylsulfonyl)-1-piperazinyl]-2-nitrophenyl}piperazine [ACD/IUPAC Name]
1-Benzyl-4-{5-[4-(benzylsulfonyl)-1-pipérazinyl]-2-nitrophényl}pipérazine [French] [ACD/IUPAC Name]
Piperazine, 1-[4-nitro-3-[4-(phenylmethyl)-1-piperazinyl]phenyl]-4-[(phenylmethyl)sulfonyl]- [ACD/Index Name]
1-BENZYL-4-[2-NITRO-5-(4-PHENYLMETHANESULFONYLPIPERAZIN-1-YL)PHENYL]PIPERAZINE
1-benzyl-4-[5-(4-benzylsulfonylpiperazin-1-yl)-2-nitrophenyl]piperazine
1-benzyl-4-{5-[4-(benzylsulfonyl)piperazin-1-yl]-2-nitrophenyl}piperazine
444079-42-9 [RN]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 739.3±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 107.8±3.0 kJ/mol
    Flash Point: 400.9±35.7 °C
    Index of Refraction: 1.689
    Molar Refractivity: 148.8±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 0
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: 5.64
    ACD/LogD (pH 5.5): 3.90
    ACD/BCF (pH 5.5): 393.41
    ACD/KOC (pH 5.5): 1701.53
    ACD/LogD (pH 7.4): 4.48
    ACD/BCF (pH 7.4): 1482.10
    ACD/KOC (pH 7.4): 6410.17
    Polar Surface Area: 101 Å2
    Polarizability: 59.0±0.5 10-24cm3
    Surface Tension: 71.7±5.0 dyne/cm
    Molar Volume: 389.5±5.0 cm3

    Click to predict properties on the Chemicalize site


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