ChemSpider 2D Image | (9R)-N-{(2S)-1-[(2-Fluorophenyl)amino]-3-methyl-1-oxo-2-butanyl}-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-diene-11-carboxamide | C23H27FN4O3

(9R)-N-{(2S)-1-[(2-Fluorophenyl)amino]-3-methyl-1-oxo-2-butanyl}-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide

  • Molecular FormulaC23H27FN4O3
  • Average mass426.484 Da
  • Monoisotopic mass426.206726 Da
  • ChemSpider ID64860251

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(9R)-N-{(2S)-1-[(2-Fluorophenyl)amino]-3-methyl-1-oxo-2-butanyl}-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide [ACD/IUPAC Name]
(9R)-N-{(2S)-1-[(2-Fluorophényl)amino]-3-méthyl-1-oxo-2-butanyl}-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridéca-2,4-diène-11-carboxamide [French] [ACD/IUPAC Name]
(9R)-N-{(2S)-1-[(2-Fluorphenyl)amino]-3-methyl-1-oxo-2-butanyl}-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-carboxamid [German] [ACD/IUPAC Name]
1,5-Methano-2H-pyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide, N-[(1S)-1-[[(2-fluorophenyl)amino]carbonyl]-2-methylpropyl]-1,5,6,8-tetrahydro-8-oxo-, (5R)- [ACD/Index Name]
(5S)-N-((S)-1-((2-fluorophenyl)amino)-3-methyl-1-oxobutan-2-yl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carboxamide
956041-43-3 [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: 747.2±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 108.9±3.0 kJ/mol
    Flash Point: 405.7±32.9 °C
    Index of Refraction: 1.625
    Molar Refractivity: 114.4±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.99
    ACD/LogD (pH 5.5): 1.66
    ACD/BCF (pH 5.5): 10.79
    ACD/KOC (pH 5.5): 191.02
    ACD/LogD (pH 7.4): 1.66
    ACD/BCF (pH 7.4): 10.79
    ACD/KOC (pH 7.4): 190.98
    Polar Surface Area: 82 Å2
    Polarizability: 45.3±0.5 10-24cm3
    Surface Tension: 57.8±5.0 dyne/cm
    Molar Volume: 323.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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