ChemSpider 2D Image | (2S)-2-[(1S)-6,7-Dimethoxy-1-{2-[4-(trifluoromethyl)phenyl]ethyl}-3,4-dihydro-2(1H)-isoquinolinyl]-N-methyl-2-phenylacetamide | C29H31F3N2O3

(2S)-2-[(1S)-6,7-Dimethoxy-1-{2-[4-(trifluoromethyl)phenyl]ethyl}-3,4-dihydro-2(1H)-isoquinolinyl]-N-methyl-2-phenylacetamide

  • Molecular FormulaC29H31F3N2O3
  • Average mass512.563 Da
  • Monoisotopic mass512.228699 Da
  • ChemSpider ID28424233

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-2-[(1S)-6,7-Dimethoxy-1-{2-[4-(trifluormethyl)phenyl]ethyl}-3,4-dihydro-2(1H)-isochinolinyl]-N-methyl-2-phenylacetamid [German] [ACD/IUPAC Name]
(2S)-2-[(1S)-6,7-dimethoxy-1-{2-[4-(trifluoromethyl)phenyl]ethyl}-1,2,3,4-tetrahydroisoquinolin-2-yl]-N-methyl-2-phenylacetamide
(2S)-2-[(1S)-6,7-Diméthoxy-1-{2-[4-(trifluorométhyl)phényl]éthyl}-3,4-dihydro-2(1H)-isoquinoléinyl]-N-méthyl-2-phénylacétamide [French] [ACD/IUPAC Name]
(2S)-2-[(1S)-6,7-Dimethoxy-1-{2-[4-(trifluoromethyl)phenyl]ethyl}-3,4-dihydro-2(1H)-isoquinolinyl]-N-methyl-2-phenylacetamide [ACD/IUPAC Name]
2(1H)-Isoquinolineacetamide, 3,4-dihydro-6,7-dimethoxy-N-methyl-α-phenyl-1-[2-[4-(trifluoromethyl)phenyl]ethyl]-, (αS,1S)- [ACD/Index Name]
2055114-67-3 [RN]
(S)-2-((S)-1-(4-(trifluoromethyl)phenethyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-N-methyl-2-phenylacetamide
(S)-2-((S)-6,7-Dimethoxy-1-(4-(trifluoromethyl)phenethyl)-3,4-dihydroisoquinolin-2(1H)-yl)-N-methyl-2-phenylacetamide
1266467-63-3 [RN]
MFCD29920515

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 620.4±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 91.9±3.0 kJ/mol
    Flash Point: 329.0±31.5 °C
    Index of Refraction: 1.554
    Molar Refractivity: 136.2±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 2
    ACD/LogP: 5.89
    ACD/LogD (pH 5.5): 5.63
    ACD/BCF (pH 5.5): 10945.03
    ACD/KOC (pH 5.5): 26692.29
    ACD/LogD (pH 7.4): 5.65
    ACD/BCF (pH 7.4): 11526.67
    ACD/KOC (pH 7.4): 28110.76
    Polar Surface Area: 51 Å2
    Polarizability: 54.0±0.5 10-24cm3
    Surface Tension: 41.0±3.0 dyne/cm
    Molar Volume: 425.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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