ChemSpider 2D Image | Methyl N-{[1-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-4-piperidinyl]carbonyl}-L-leucinate | C23H32N4O3S

Methyl N-{[1-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-4-piperidinyl]carbonyl}-L-leucinate

  • Molecular FormulaC23H32N4O3S
  • Average mass444.590 Da
  • Monoisotopic mass444.219513 Da
  • ChemSpider ID26039343

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

L-Leucine, N-[[1-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-4-piperidinyl]carbonyl]-, methyl ester [ACD/Index Name]
Methyl N-{[1-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-4-piperidinyl]carbonyl}-L-leucinate [ACD/IUPAC Name]
Methyl-N-{[1-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-4-piperidinyl]carbonyl}-L-leucinat [German] [ACD/IUPAC Name]
N-{[1-(5,6,7,8-Tétrahydro[1]benzothiéno[2,3-d]pyrimidin-4-yl)-4-pipéridinyl]carbonyl}-L-leucinate de méthyle [French] [ACD/IUPAC Name]
1291789-16-6 [RN]
4-Methyl-2-{[1-(5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-yl)-piperidine-4-carbonyl]-amino}-pentanoic acid methyl ester
AKOS005663452
MCULE-6339375110
methyl (2S)-4-methyl-2-[[1-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperidine-4-carbonyl]amino]pentanoate
methyl N-{[1-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]carbonyl}-L-leucinate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 644.2±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 95.0±3.0 kJ/mol
    Flash Point: 343.4±31.5 °C
    Index of Refraction: 1.592
    Molar Refractivity: 122.6±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 3.90
    ACD/LogD (pH 5.5): 3.67
    ACD/BCF (pH 5.5): 289.87
    ACD/KOC (pH 5.5): 1552.03
    ACD/LogD (pH 7.4): 4.06
    ACD/BCF (pH 7.4): 711.51
    ACD/KOC (pH 7.4): 3809.51
    Polar Surface Area: 113 Å2
    Polarizability: 48.6±0.5 10-24cm3
    Surface Tension: 54.3±3.0 dyne/cm
    Molar Volume: 361.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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