ChemSpider 2D Image | (3R)-N-[(2S)-1-{[2-(3,4-Dimethoxyphenyl)ethyl]amino}-3-methyl-1-oxo-2-butanyl]-2,2-dimethyl-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxamide | C28H35N3O5S

(3R)-N-[(2S)-1-{[2-(3,4-Dimethoxyphenyl)ethyl]amino}-3-methyl-1-oxo-2-butanyl]-2,2-dimethyl-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxamide

  • Molecular FormulaC28H35N3O5S
  • Average mass525.660 Da
  • Monoisotopic mass525.229736 Da
  • ChemSpider ID17471069

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(3R)-N-[(2S)-1-{[2-(3,4-Dimethoxyphenyl)ethyl]amino}-3-methyl-1-oxo-2-butanyl]-2,2-dimethyl-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindol-3-carboxamid [German] [ACD/IUPAC Name]
(3R)-N-[(2S)-1-{[2-(3,4-Dimethoxyphenyl)ethyl]amino}-3-methyl-1-oxo-2-butanyl]-2,2-dimethyl-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxamide [ACD/IUPAC Name]
(3R)-N-[(2S)-1-{[2-(3,4-Diméthoxyphényl)éthyl]amino}-3-méthyl-1-oxo-2-butanyl]-2,2-diméthyl-5-oxo-2,3,5,9b-tétrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxamide [French] [ACD/IUPAC Name]
Thiazolo[2,3-a]isoindole-3-carboxamide, N-[(1S)-1-[[[2-(3,4-dimethoxyphenyl)ethyl]amino]carbonyl]-2-methylpropyl]-2,3,5,9b-tetrahydro-2,2-dimethyl-5-oxo-, (3R)- [ACD/Index Name]
(3R)-N-[(2S)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2,2-dimethyl-5-oxo-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
956197-36-7 [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: 775.2±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.7 mmHg at 25°C
    Enthalpy of Vaporization: 112.8±3.0 kJ/mol
    Flash Point: 422.6±32.9 °C
    Index of Refraction: 1.618
    Molar Refractivity: 144.4±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 3.63
    ACD/LogD (pH 5.5): 3.43
    ACD/BCF (pH 5.5): 238.20
    ACD/KOC (pH 5.5): 1749.92
    ACD/LogD (pH 7.4): 3.43
    ACD/BCF (pH 7.4): 238.20
    ACD/KOC (pH 7.4): 1749.92
    Polar Surface Area: 122 Å2
    Polarizability: 57.2±0.5 10-24cm3
    Surface Tension: 57.3±5.0 dyne/cm
    Molar Volume: 412.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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