ChemSpider 2D Image | Solifenacin Related Compound 8 | C18H19NO2

Solifenacin Related Compound 8

  • Molecular FormulaC18H19NO2
  • Average mass281.349 Da
  • Monoisotopic mass281.141571 Da
  • ChemSpider ID23346151

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1S)-1-Phényl-3,4-dihydro-2(1H)-isoquinoléinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
180468-42-2 [RN]
2(1H)-Isoquinolinecarboxylic acid, 3,4-dihydro-1-phenyl-, ethyl ester, (1S)- [ACD/Index Name]
Ethyl (1S)-1-phenyl-3,4-dihydro-2(1H)-isoquinolinecarboxylate [ACD/IUPAC Name]
Ethyl (1S)-1-phenyl-3,4-dihydroisoquinoline-2(1H)-carboxylate
Ethyl (S)-1-Phenyl-1,2,3,4-tetrahydro-2-isoquinolinecarboxylate
Ethyl-(1S)-1-phenyl-3,4-dihydro-2(1H)-isochinolincarboxylat [German] [ACD/IUPAC Name]
Solifenacin Related Compound 8
(1R)-3,4-Dihydro-1-phenyl-2(1H)-isoquinolinecarboxylic acid ethyl ester
(1S)-Ethyl-1-phenyl-1,2,3,4-tetrahydro-2-isoquinoline carboxylate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 412.2±44.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 66.5±3.0 kJ/mol
    Flash Point: 203.1±28.4 °C
    Index of Refraction: 1.582
    Molar Refractivity: 82.0±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.70
    ACD/LogD (pH 5.5): 4.08
    ACD/BCF (pH 5.5): 736.97
    ACD/KOC (pH 5.5): 3927.54
    ACD/LogD (pH 7.4): 4.08
    ACD/BCF (pH 7.4): 736.97
    ACD/KOC (pH 7.4): 3927.54
    Polar Surface Area: 30 Å2
    Polarizability: 32.5±0.5 10-24cm3
    Surface Tension: 45.1±3.0 dyne/cm
    Molar Volume: 245.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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