ChemSpider 2D Image | batefenterol | C40H42ClN5O7

batefenterol

  • Molecular FormulaC40H42ClN5O7
  • Average mass740.244 Da
  • Monoisotopic mass739.277283 Da
  • ChemSpider ID8548280
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(1,1-biphényl-2-yl)carbamate de 1-(3-{[2-chloro-4-({[(2R)-2-hydroxy- 2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)éthyl]amino}méthyl)- 5-méthoxyphényl]amino}-3-oxopropyl)pipéridin-4-yle [French]
1-(2-{[2-chloro-4-({[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethyl]amino}methyl)-5-methoxyphenyl]carbamoyl}ethyl)piperidin-4-yl N-{[1,1'-biphenyl]-2-yl}carbamate
1-(3-{[2-Chlor-4-({[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydro-5-chinolinyl)ethyl]amino}methyl)-5-methoxyphenyl]amino}-3-oxopropyl)-4-piperidinyl-2-biphenylylcarbamat [German] [ACD/IUPAC Name]
1-(3-{[2-chloro-4-({[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo- 1,2-dihydroquinolin-5-yl)ethyl]amino}methyl)- 5-methoxyphenyl]amino}-3-oxopropyl)piperidin-4-yl (1,1-biphenyl- 2-yl)carbamate
1-(3-{[2-Chloro-4-({[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydro-5-quinolinyl)ethyl]amino}methyl)-5-methoxyphenyl]amino}-3-oxopropyl)-4-piperidinyl 2-biphenylylcarbamate [ACD/IUPAC Name]
125-52-0 [RN]
1IAT42T80T
2-Biphénylylcarbamate de 1-(3-{[2-chloro-4-({[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydro-5-quinoléinyl)éthyl]amino}méthyl)-5-méthoxyphényl]amino}-3-oxopropyl)-4-pipéridinyle [French] [ACD/IUPAC Name]
743461-65-6 [RN]
batefenterol [INN] [USAN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

9804 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 948.3±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 144.6±3.0 kJ/mol
    Flash Point: 527.3±34.3 °C
    Index of Refraction: 1.692
    Molar Refractivity: 200.9±0.4 cm3
    #H bond acceptors: 12
    #H bond donors: 6
    #Freely Rotating Bonds: 14
    #Rule of 5 Violations: 4
    ACD/LogP: 5.26
    ACD/LogD (pH 5.5): 1.34
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.05
    ACD/LogD (pH 7.4): 4.29
    ACD/BCF (pH 7.4): 771.44
    ACD/KOC (pH 7.4): 2740.44
    Polar Surface Area: 161 Å2
    Polarizability: 79.7±0.5 10-24cm3
    Surface Tension: 75.7±5.0 dyne/cm
    Molar Volume: 524.5±5.0 cm3

    Click to predict properties on the Chemicalize site






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