ChemSpider 2D Image | N-{5-[(4-Acetyl-1-piperazinyl)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl}-4-methoxybenzamide | C32H35N5O5

N-{5-[(4-Acetyl-1-piperazinyl)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)phenyl}-4-methoxybenzamide

  • Molecular FormulaC32H35N5O5
  • Average mass569.651 Da
  • Monoisotopic mass569.263794 Da
  • ChemSpider ID3489557

More details:

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

Benzamide, N-[5-[(4-acetyl-1-piperazinyl)carbonyl]-2-(1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]-4-methoxy- [ACD/Index Name]
N-{5-[(4-Acetyl-1-piperazinyl)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)phenyl}-4-methoxybenzamid [German] [ACD/IUPAC Name]
N-{5-[(4-Acetyl-1-piperazinyl)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)phenyl}-4-methoxybenzamide [ACD/IUPAC Name]
N-{5-[(4-Acétyl-1-pipérazinyl)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridéca-2,4-dién-11-yl)phényl}-4-méthoxybenzamide [French] [ACD/IUPAC Name]
441046-18-0 [RN]
n-(5-(4-acetylpiperazine-1-carbonyl)-2-(8-oxo-1,5,6,8-tetrahydro-2h-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4h)-yl)phenyl)-4-methoxybenzamide
N-(5-(4-acetylpiperazine-1-carbonyl)-2-(8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)phenyl)-4-methoxybenzamide
N-[5-(4-acetylpiperazine-1-carbonyl)-2-{6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl}phenyl]-4-methoxybenzamide

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 813.0±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.9 mmHg at 25°C
    Enthalpy of Vaporization: 118.2±3.0 kJ/mol
    Flash Point: 445.5±34.3 °C
    Index of Refraction: 1.686
    Molar Refractivity: 156.8±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 2
    ACD/LogP: 0.23
    ACD/LogD (pH 5.5): 1.04
    ACD/BCF (pH 5.5): 3.66
    ACD/KOC (pH 5.5): 88.03
    ACD/LogD (pH 7.4): 1.04
    ACD/BCF (pH 7.4): 3.66
    ACD/KOC (pH 7.4): 88.13
    Polar Surface Area: 103 Å2
    Polarizability: 62.2±0.5 10-24cm3
    Surface Tension: 71.4±5.0 dyne/cm
    Molar Volume: 411.9±5.0 cm3

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