ChemSpider 2D Image | N-[(7S)-10-({(2S,3R)-1-[4-(2-Furoyl)-1-piperazinyl]-3-methyl-1-oxo-2-pentanyl}amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide | C36H44N4O8

N-[(7S)-10-({(2S,3R)-1-[4-(2-Furoyl)-1-piperazinyl]-3-methyl-1-oxo-2-pentanyl}amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide

  • Molecular FormulaC36H44N4O8
  • Average mass660.757 Da
  • Monoisotopic mass660.315918 Da
  • ChemSpider ID30717182
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

Acetamide, N-[(7S)-10-[[(1S,2R)-1-[[4-(2-furanylcarbonyl)-1-piperazinyl]carbonyl]-2-methylbutyl]amino]-5,6,7,9-tetrahydro-1,2,3-trimethoxy-9-oxobenzo[a]heptalen-7-yl]- [ACD/Index Name]
N-[(7S)-10-({(2S,3R)-1-[4-(2-Furoyl)-1-piperazinyl]-3-methyl-1-oxo-2-pentanyl}amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamid [German] [ACD/IUPAC Name]
N-[(7S)-10-({(2S,3R)-1-[4-(2-Furoyl)-1-piperazinyl]-3-methyl-1-oxo-2-pentanyl}amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide [ACD/IUPAC Name]
N-[(7S)-10-({(2S,3R)-1-[4-(2-Furoyl)-1-pipérazinyl]-3-méthyl-1-oxo-2-pentanyl}amino)-1,2,3-triméthoxy-9-oxo-5,6,7,9-tétrahydrobenzo[a]heptalén-7-yl]acétamide [French] [ACD/IUPAC Name]
1574347-33-3 [RN]
N-((S)-10-(((2S,3R)-1-(4-(furan-2-carbonyl)piperazin-1-yl)-3-methyl-1-oxopentan-2-yl)amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide
N-[(7S)-10-[[(2S,3R)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 941.7±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 137.1±3.0 kJ/mol
    Flash Point: 523.3±34.3 °C
    Index of Refraction: 1.616
    Molar Refractivity: 177.9±0.4 cm3
    #H bond acceptors: 12
    #H bond donors: 2
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 2.35
    ACD/LogD (pH 5.5): 2.34
    ACD/BCF (pH 5.5): 35.37
    ACD/KOC (pH 5.5): 446.81
    ACD/LogD (pH 7.4): 2.34
    ACD/BCF (pH 7.4): 35.37
    ACD/KOC (pH 7.4): 446.81
    Polar Surface Area: 140 Å2
    Polarizability: 70.5±0.5 10-24cm3
    Surface Tension: 59.6±5.0 dyne/cm
    Molar Volume: 509.5±5.0 cm3

    Click to predict properties on the Chemicalize site






    Advertisement