ChemSpider 2D Image | N~2~-[(7S)-7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[2-(1H-indol-3-yl)ethyl]-L-alaninamide | C34H38N4O6

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

  • Molecular FormulaC34H38N4O6
  • Average mass598.689 Da
  • Monoisotopic mass598.279114 Da
  • ChemSpider ID30717974
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

N2-[(7S)-7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[2-(1H-indol-3-yl)ethyl]-L-alaninamid [German] [ACD/IUPAC Name]
N2-[(7S)-7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[2-(1H-indol-3-yl)ethyl]-L-alaninamide [ACD/IUPAC Name]
N2-[(7S)-7-Acétamido-1,2,3-triméthoxy-9-oxo-5,6,7,9-tétrahydrobenzo[a]heptalén-10-yl]-N-[2-(1H-indol-3-yl)éthyl]-L-alaninamide [French] [ACD/IUPAC Name]
Propanamide, 2-[[(7S)-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]-, (2S)- [ACD/Index Name]
(2S)-2-[[(7S)-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]propanamide
(S)-N-(2-(1H-indol-3-yl)ethyl)-2-(((S)-7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)amino)propanamide
1574398-05-2 [RN]
MolPort-029-886-139

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.3±0.1 g/cm3
    Boiling Point: 981.2±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 143.2±3.0 kJ/mol
    Flash Point: 547.2±34.3 °C
    Index of Refraction: 1.647
    Molar Refractivity: 167.0±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 4
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 2.28
    ACD/LogD (pH 5.5): 2.96
    ACD/BCF (pH 5.5): 104.23
    ACD/KOC (pH 5.5): 968.50
    ACD/LogD (pH 7.4): 2.96
    ACD/BCF (pH 7.4): 104.23
    ACD/KOC (pH 7.4): 968.51
    Polar Surface Area: 131 Å2
    Polarizability: 66.2±0.5 10-24cm3
    Surface Tension: 61.7±5.0 dyne/cm
    Molar Volume: 459.6±5.0 cm3

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