ChemSpider 2D Image | N-[3-[6-[[4-[(2S)-1,4-Dimethyl-3-oxo-2-piperazinyl]phenyl]amino]-4,5-dihydro-4-methyl-5-oxo-2-pyrazinyl]-2-methylphenyl]-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxamide | C33H36N6O3S

N-[3-[6-[[4-[(2S)-1,4-Dimethyl-3-oxo-2-piperazinyl]phenyl]amino]-4,5-dihydro-4-methyl-5-oxo-2-pyrazinyl]-2-methylphenyl]-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxamide

  • Molecular FormulaC33H36N6O3S
  • Average mass596.742 Da
  • Monoisotopic mass596.256958 Da
  • ChemSpider ID29315045

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1133432-50-4 [RN]
Benzo[b]thiophene-2-carboxamide, N-[3-[6-[[4-[(2S)-1,4-dimethyl-3-oxo-2-piperazinyl]phenyl]amino]-4,5-dihydro-4-methyl-5-oxo-2-pyrazinyl]-2-methylphenyl]-4,5,6,7-tetrahydro- [ACD/Index Name]
N-[3-[6-[[4-[(2S)-1,4-Dimethyl-3-oxo-2-piperazinyl]phenyl]amino]-4,5-dihydro-4-methyl-5-oxo-2-pyrazinyl]-2-methylphenyl]-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxamide
N-{3-[6-({4-[(2S)-1,4-Dimethyl-3-oxo-2-piperazinyl]phenyl}amino)-4-methyl-5-oxo-4,5-dihydro-2-pyrazinyl]-2-methylphenyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-carboxamid [German] [ACD/IUPAC Name]
N-{3-[6-({4-[(2S)-1,4-Dimethyl-3-oxo-2-piperazinyl]phenyl}amino)-4-methyl-5-oxo-4,5-dihydro-2-pyrazinyl]-2-methylphenyl}-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide [ACD/IUPAC Name]
N-{3-[6-({4-[(2S)-1,4-Diméthyl-3-oxo-2-pipérazinyl]phényl}amino)-4-méthyl-5-oxo-4,5-dihydro-2-pyrazinyl]-2-méthylphényl}-4,5,6,7-tétrahydro-1-benzothiophène-2-carboxamide [French] [ACD/IUPAC Name]
(S)-N-(3-(6-((4-(1,4-Dimethyl-3-oxopiperazin-2-yl)phenyl)amino)-4-methyl-5-oxo-4,5-dihydropyrazin-2-yl)-2-methylphenyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxamide
1133432-49-1 [RN]
GDC0834
GDC-0834
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.697
    Molar Refractivity: 170.0±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 1
    ACD/LogP: 3.68
    ACD/LogD (pH 5.5): 1.91
    ACD/BCF (pH 5.5): 7.27
    ACD/KOC (pH 5.5): 53.75
    ACD/LogD (pH 7.4): 3.27
    ACD/BCF (pH 7.4): 166.59
    ACD/KOC (pH 7.4): 1230.94
    Polar Surface Area: 126 Å2
    Polarizability: 67.4±0.5 10-24cm3
    Surface Tension: 54.4±7.0 dyne/cm
    Molar Volume: 441.1±7.0 cm3

    Click to predict properties on the Chemicalize site


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