ChemSpider 2D Image | N~2~-(7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)-N-[2-(1H-indol-3-yl)ethyl]methioninamide | C36H42N4O6S

N2-(7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)-N-[2-(1H-indol-3-yl)ethyl]methioninamide

  • Molecular FormulaC36H42N4O6S
  • Average mass658.807 Da
  • Monoisotopic mass658.282532 Da
  • ChemSpider ID60759451

More details:

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

Butanamide, 2-[[7-(acetylamino)-5,6,7,9-tetrahydro-1,2,3-trimethoxy-9-oxobenzo[a]heptalen-10-yl]amino]-N-[2-(1H-indol-3-yl)ethyl]-4-(methylthio)- [ACD/Index Name]
N2-(7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)-N-[2-(1H-indol-3-yl)ethyl]methioninamid [German] [ACD/IUPAC Name]
N2-(7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)-N-[2-(1H-indol-3-yl)ethyl]methioninamide [ACD/IUPAC Name]
N2-(7-Acétamido-1,2,3-triméthoxy-9-oxo-5,6,7,9-tétrahydrobenzo[a]heptalén-10-yl)-N-[2-(1H-indol-3-yl)éthyl]méthioninamide [French] [ACD/IUPAC Name]
2-[(7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl)amino]-N-[2-(1H-indol-3-yl)ethyl]-4-methylsulfanylbutanamide

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 1026.6±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 150.3±3.0 kJ/mol
    Flash Point: 574.7±34.3 °C
    Index of Refraction: 1.650
    Molar Refractivity: 184.3±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 4
    #Freely Rotating Bonds: 13
    #Rule of 5 Violations: 2
    ACD/LogP: 3.09
    ACD/LogD (pH 5.5): 3.42
    ACD/BCF (pH 5.5): 235.35
    ACD/KOC (pH 5.5): 1734.94
    ACD/LogD (pH 7.4): 3.42
    ACD/BCF (pH 7.4): 235.35
    ACD/KOC (pH 7.4): 1734.94
    Polar Surface Area: 156 Å2
    Polarizability: 73.0±0.5 10-24cm3
    Surface Tension: 62.5±5.0 dyne/cm
    Molar Volume: 505.3±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement