ChemSpider 2D Image | [4-(3-{[1-(Adamantan-1-yl)ethyl]amino}-4-nitrophenyl)-1-piperazinyl](4-methoxyphenyl)methanone | C30H38N4O4

[4-(3-{[1-(Adamantan-1-yl)ethyl]amino}-4-nitrophenyl)-1-piperazinyl](4-methoxyphenyl)methanone

  • Molecular FormulaC30H38N4O4
  • Average mass518.647 Da
  • Monoisotopic mass518.289307 Da
  • ChemSpider ID4171970

More details:

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

[4-(3-{[1-(Adamantan-1-yl)ethyl]amino}-4-nitrophenyl)-1-piperazinyl](4-methoxyphenyl)methanon [German] [ACD/IUPAC Name]
[4-(3-{[1-(Adamantan-1-yl)ethyl]amino}-4-nitrophenyl)-1-piperazinyl](4-methoxyphenyl)methanone [ACD/IUPAC Name]
[4-(3-{[1-(Adamantan-1-yl)éthyl]amino}-4-nitrophényl)-1-pipérazinyl](4-méthoxyphényl)méthanone [French] [ACD/IUPAC Name]
[4-(3-{[1-(Adamantan-1-yl)ethyl]amino}-4-nitrophenyl)piperazin-1-yl](4-methoxyphenyl)methanone
Methanone, (4-methoxyphenyl)[4-[4-nitro-3-[(1-tricyclo[3.3.1.13,7]dec-1-ylethyl)amino]phenyl]-1-piperazinyl]- [ACD/Index Name]
(4-methoxyphenyl)[4-(4-nitro-3-{[1-(tricyclo[3.3.1.13,7]dec-1-yl)ethyl]amino}phenyl)piperazin-1-yl]methanone
[4-[3-[1-(1-adamantyl)ethylamino]-4-nitrophenyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
{4-[3-(1-Adamantan-1-yl-ethylamino)-4-nitro-phenyl]-piperazin-1-yl}-(4-methoxy-phenyl)-methanone
4-{3-[(adamantanylethyl)amino]-4-nitrophenyl}piperazinyl 4-methoxyphenyl ketone
440091-19-0 [RN]

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

A2964/0124836 [DBID]
EU-0077822 [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: 717.8±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 104.9±3.0 kJ/mol
    Flash Point: 387.9±32.9 °C
    Index of Refraction: 1.637
    Molar Refractivity: 147.2±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 2
    ACD/LogP: 7.21
    ACD/LogD (pH 5.5): 6.17
    ACD/BCF (pH 5.5): 28823.35
    ACD/KOC (pH 5.5): 54182.32
    ACD/LogD (pH 7.4): 6.17
    ACD/BCF (pH 7.4): 28826.17
    ACD/KOC (pH 7.4): 54187.62
    Polar Surface Area: 91 Å2
    Polarizability: 58.3±0.5 10-24cm3
    Surface Tension: 57.5±3.0 dyne/cm
    Molar Volume: 409.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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