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-methoxybenzyl)-L-alaninamide | C32H37N3O7

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

  • Molecular FormulaC32H37N3O7
  • Average mass575.652 Da
  • Monoisotopic mass575.263123 Da
  • ChemSpider ID30717148

  • 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-methoxybenzyl)-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-methoxybenzyl)-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-méthoxybenzyl)-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-methoxyphenyl)methyl]-, (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-methoxyphenyl)methyl]propanamide
(S)-2-(((S)-7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)amino)-N-(2-methoxybenzyl)propanamide
1574381-04-6 [RN]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 907.8±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 132.0±3.0 kJ/mol
    Flash Point: 502.8±34.3 °C
    Index of Refraction: 1.612
    Molar Refractivity: 157.2±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 3
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 1.99
    ACD/LogD (pH 5.5): 2.47
    ACD/BCF (pH 5.5): 44.75
    ACD/KOC (pH 5.5): 528.73
    ACD/LogD (pH 7.4): 2.47
    ACD/BCF (pH 7.4): 44.75
    ACD/KOC (pH 7.4): 528.73
    Polar Surface Area: 124 Å2
    Polarizability: 62.3±0.5 10-24cm3
    Surface Tension: 56.4±5.0 dyne/cm
    Molar Volume: 452.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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