ChemSpider 2D Image | N-Benzyl-5-[4-(2-naphthylsulfonyl)-1-piperazinyl]-2-nitroaniline | C27H26N4O4S

N-Benzyl-5-[4-(2-naphthylsulfonyl)-1-piperazinyl]-2-nitroaniline

  • Molecular FormulaC27H26N4O4S
  • Average mass502.585 Da
  • Monoisotopic mass502.167480 Da
  • ChemSpider ID2760253

More details:

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

Benzenemethanamine, N-[5-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-nitrophenyl]- [ACD/Index Name]
N-Benzyl-5-[4-(2-naphthylsulfonyl)-1-piperazinyl]-2-nitroanilin [German] [ACD/IUPAC Name]
N-Benzyl-5-[4-(2-naphthylsulfonyl)-1-piperazinyl]-2-nitroaniline [ACD/IUPAC Name]
N-Benzyl-5-[4-(2-naphthylsulfonyl)piperazin-1-yl]-2-nitroaniline
N-Benzyl-5-[4-(2-naphtylsulfonyl)-1-pipérazinyl]-2-nitroaniline [French] [ACD/IUPAC Name]
1-(2-naphthylsulfonyl)-4-{4-nitro-3-[benzylamino]phenyl}piperazine
1-{3-(benzylamino)-4-nitrophenyl}-4-(2-naphthylsulfonyl)piperazine
330836-19-6 [RN]
AC1MRNSQ
AGN-PC-0KVT68
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AG-670/15543037 [DBID]
ZINC08385446 [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: 751.3±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 109.5±3.0 kJ/mol
    Flash Point: 408.2±35.7 °C
    Index of Refraction: 1.697
    Molar Refractivity: 141.1±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 2
    ACD/LogP: 6.77
    ACD/LogD (pH 5.5): 5.84
    ACD/BCF (pH 5.5): 16003.54
    ACD/KOC (pH 5.5): 35559.90
    ACD/LogD (pH 7.4): 5.84
    ACD/BCF (pH 7.4): 16004.17
    ACD/KOC (pH 7.4): 35561.30
    Polar Surface Area: 107 Å2
    Polarizability: 55.9±0.5 10-24cm3
    Surface Tension: 65.8±3.0 dyne/cm
    Molar Volume: 366.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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