ChemSpider 2D Image | (3R)-2,2-Dimethyl-N-[(2S)-1-{[3-(4-morpholinyl)propyl]amino}-1-oxo-3-phenyl-2-propanyl]-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxamide | C29H36N4O4S

(3R)-2,2-Dimethyl-N-[(2S)-1-{[3-(4-morpholinyl)propyl]amino}-1-oxo-3-phenyl-2-propanyl]-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxamide

  • Molecular FormulaC29H36N4O4S
  • Average mass536.685 Da
  • Monoisotopic mass536.245728 Da
  • ChemSpider ID22881762

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(3R)-2,2-Dimethyl-N-[(2S)-1-{[3-(4-morpholinyl)propyl]amino}-1-oxo-3-phenyl-2-propanyl]-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindol-3-carboxamid [German] [ACD/IUPAC Name]
(3R)-2,2-Dimethyl-N-[(2S)-1-{[3-(4-morpholinyl)propyl]amino}-1-oxo-3-phenyl-2-propanyl]-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxamide [ACD/IUPAC Name]
(3R)-2,2-Diméthyl-N-[(2S)-1-{[3-(4-morpholinyl)propyl]amino}-1-oxo-3-phényl-2-propanyl]-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, 2,3,5,9b-tetrahydro-2,2-dimethyl-N-[(1S)-2-[[3-(4-morpholinyl)propyl]amino]-2-oxo-1-(phenylmethyl)ethyl]-5-oxo-, (3R)- [ACD/Index Name]
(3R)-2,2-dimethyl-N-[(2S)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]-5-oxo-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
(3R)-2,2-dimethyl-N-[(2S)-1-{[3-(morpholin-4-yl)propyl]amino}-1-oxo-3-phenylpropan-2-yl]-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
1014042-19-3 [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: 825.0±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.0 mmHg at 25°C
    Enthalpy of Vaporization: 119.9±3.0 kJ/mol
    Flash Point: 452.7±34.3 °C
    Index of Refraction: 1.648
    Molar Refractivity: 149.2±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 2.66
    ACD/LogD (pH 5.5): 1.11
    ACD/BCF (pH 5.5): 1.65
    ACD/KOC (pH 5.5): 17.04
    ACD/LogD (pH 7.4): 2.55
    ACD/BCF (pH 7.4): 46.01
    ACD/KOC (pH 7.4): 476.06
    Polar Surface Area: 116 Å2
    Polarizability: 59.1±0.5 10-24cm3
    Surface Tension: 63.3±5.0 dyne/cm
    Molar Volume: 409.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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