ChemSpider 2D Image | N~2~-(7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)-N-(4-pyridinylmethyl)methioninamide | C32H38N4O6S

N2-(7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)-N-(4-pyridinylmethyl)methioninamide

  • Molecular FormulaC32H38N4O6S
  • Average mass606.732 Da
  • Monoisotopic mass606.251221 Da
  • ChemSpider ID60759625

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]-4-(methylthio)-N-(4-pyridinylmethyl)- [ACD/Index Name]
N2-(7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)-N-(4-pyridinylmethyl)methioninamid [German] [ACD/IUPAC Name]
N2-(7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)-N-(4-pyridinylmethyl)methioninamide [ACD/IUPAC Name]
N2-(7-Acétamido-1,2,3-triméthoxy-9-oxo-5,6,7,9-tétrahydrobenzo[a]heptalén-10-yl)-N-(4-pyridinylméthyl)méthioninamide [French] [ACD/IUPAC Name]
2-[(7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl)amino]-4-methylsulfanyl-N-(pyridin-4-ylmethyl)butanamide
2058353-87-8 [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: 970.9±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 141.6±3.0 kJ/mol
    Flash Point: 541.0±34.3 °C
    Index of Refraction: 1.624
    Molar Refractivity: 165.9±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 3
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 2
    ACD/LogP: 1.39
    ACD/LogD (pH 5.5): 2.22
    ACD/BCF (pH 5.5): 26.25
    ACD/KOC (pH 5.5): 326.86
    ACD/LogD (pH 7.4): 2.37
    ACD/BCF (pH 7.4): 37.03
    ACD/KOC (pH 7.4): 460.99
    Polar Surface Area: 153 Å2
    Polarizability: 65.8±0.5 10-24cm3
    Surface Tension: 60.4±5.0 dyne/cm
    Molar Volume: 469.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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