ChemSpider 2D Image | N-[2-({2-[(4aS,8aS)-4a-Hydroxyoctahydro-2(1H)-isoquinolinyl]-2-oxoethyl}amino)-2-oxoethyl]-2-[(6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy]acetamide | C28H35N3O7

N-[2-({2-[(4aS,8aS)-4a-Hydroxyoctahydro-2(1H)-isoquinolinyl]-2-oxoethyl}amino)-2-oxoethyl]-2-[(6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy]acetamide

  • Molecular FormulaC28H35N3O7
  • Average mass525.593 Da
  • Monoisotopic mass525.247498 Da
  • ChemSpider ID17465946

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Acetamide, N-[2-[[2-[(4aS,8aS)-octahydro-4a-hydroxy-2(1H)-isoquinolinyl]-2-oxoethyl]amino]-2-oxoethyl]-2-[(7,8,9,10-tetrahydro-6-oxo-6H-dibenzo[b,d]pyran-3-yl)oxy]- [ACD/Index Name]
N-[2-({2-[(4aS,8aS)-4a-Hydroxyoctahydro-2(1H)-isochinolinyl]-2-oxoethyl}amino)-2-oxoethyl]-2-[(6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy]acetamid [German] [ACD/IUPAC Name]
N-[2-({2-[(4aS,8aS)-4a-Hydroxyoctahydro-2(1H)-isoquinoléinyl]-2-oxoéthyl}amino)-2-oxoéthyl]-2-[(6-oxo-7,8,9,10-tétrahydro-6H-benzo[c]chromén-3-yl)oxy]acétamide [French] [ACD/IUPAC Name]
N-[2-({2-[(4aS,8aS)-4a-Hydroxyoctahydro-2(1H)-isoquinolinyl]-2-oxoethyl}amino)-2-oxoethyl]-2-[(6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy]acetamide [ACD/IUPAC Name]
1212081-36-1 [RN]
MCULE-4098733928
MolPort-002-523-350
N-[2-[(4aS,8aS)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-2-oxoethyl]-2-[[2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetyl]amino]acetamide
STOCK1N-48570
ZINC08918303

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 892.5±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 135.9±3.0 kJ/mol
    Flash Point: 493.6±34.3 °C
    Index of Refraction: 1.629
    Molar Refractivity: 136.6±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 3
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 2
    ACD/LogP: 3.34
    ACD/LogD (pH 5.5): 2.79
    ACD/BCF (pH 5.5): 77.89
    ACD/KOC (pH 5.5): 786.22
    ACD/LogD (pH 7.4): 2.79
    ACD/BCF (pH 7.4): 77.89
    ACD/KOC (pH 7.4): 786.21
    Polar Surface Area: 134 Å2
    Polarizability: 54.1±0.5 10-24cm3
    Surface Tension: 66.8±5.0 dyne/cm
    Molar Volume: 384.5±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement