ChemSpider 2D Image | Ethyl (1S)-2-(benzylcarbamoyl)-4-(2-ethoxy-3-methoxyphenyl)-1-methyl-2,3,4,9-tetrahydro-1H-beta-carboline-1-carboxylate | C32H35N3O5

Ethyl (1S)-2-(benzylcarbamoyl)-4-(2-ethoxy-3-methoxyphenyl)-1-methyl-2,3,4,9-tetrahydro-1H-β-carboline-1-carboxylate

  • Molecular FormulaC32H35N3O5
  • Average mass541.637 Da
  • Monoisotopic mass541.257690 Da
  • ChemSpider ID17468612

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(1S)-2-(Benzylcarbamoyl)-4-(2-éthoxy-3-méthoxyphényl)-1-méthyl-2,3,4,9-tétrahydro-1H-β-carboline-1-carboxylate d'éthyle [French] [ACD/IUPAC Name]
1H-Pyrido[3,4-b]indole-1-carboxylic acid, 4-(2-ethoxy-3-methoxyphenyl)-2,3,4,9-tetrahydro-1-methyl-2-[[(phenylmethyl)amino]carbonyl]-, ethyl ester, (1S)- [ACD/Index Name]
Ethyl (1S)-2-(benzylcarbamoyl)-4-(2-ethoxy-3-methoxyphenyl)-1-methyl-2,3,4,9-tetrahydro-1H-β-carboline-1-carboxylate [ACD/IUPAC Name]
Ethyl-(1S)-2-(benzylcarbamoyl)-4-(2-ethoxy-3-methoxyphenyl)-1-methyl-2,3,4,9-tetrahydro-1H-β-carbolin-1-carboxylat [German] [ACD/IUPAC Name]
(1S)-ethyl 2-(benzylcarbamoyl)-4-(2-ethoxy-3-methoxyphenyl)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxylate
956980-38-4 [RN]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 705.1±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 103.2±3.0 kJ/mol
    Flash Point: 380.2±32.9 °C
    Index of Refraction: 1.615
    Molar Refractivity: 154.2±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 2
    ACD/LogP: 5.57
    ACD/LogD (pH 5.5): 5.44
    ACD/BCF (pH 5.5): 8052.05
    ACD/KOC (pH 5.5): 21748.96
    ACD/LogD (pH 7.4): 5.44
    ACD/BCF (pH 7.4): 8052.05
    ACD/KOC (pH 7.4): 21748.96
    Polar Surface Area: 93 Å2
    Polarizability: 61.1±0.5 10-24cm3
    Surface Tension: 51.6±3.0 dyne/cm
    Molar Volume: 441.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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