Found 917 results

Search term: MF = 'C_{21}H_{26}N_{6}OS'
ChemSpider 2D Image | N-[(1S)-1-(1H-Benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-1-(2-pyrimidinyl)-3-piperidinecarboxamide | C21H26N6OS

N-[(1S)-1-(1H-Benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-1-(2-pyrimidinyl)-3-piperidinecarboxamide

  • Molecular FormulaC21H26N6OS
  • Average mass410.536 Da
  • Monoisotopic mass410.188873 Da
  • ChemSpider ID30718987

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

3-Piperidinecarboxamide, N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-1-(2-pyrimidinyl)- [ACD/Index Name]
N-[(1S)-1-(1H-Benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-1-(2-pyrimidinyl)-3-piperidincarboxamid [German] [ACD/IUPAC Name]
N-[(1S)-1-(1H-Benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-1-(2-pyrimidinyl)-3-piperidinecarboxamide [ACD/IUPAC Name]
N-[(1S)-1-(1H-Benzimidazol-2-yl)-3-(méthylsulfanyl)propyl]-1-(2-pyrimidinyl)-3-pipéridinecarboxamide [French] [ACD/IUPAC Name]
1574252-68-8 [RN]
N-((S)-1-(1H-benzo[d]imidazol-2-yl)-3-(methylthio)propyl)-1-(pyrimidin-2-yl)piperidine-3-carboxamide
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.654
    Molar Refractivity: 116.8±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 2.91
    ACD/LogD (pH 5.5): 3.10
    ACD/BCF (pH 5.5): 114.28
    ACD/KOC (pH 5.5): 858.52
    ACD/LogD (pH 7.4): 3.38
    ACD/BCF (pH 7.4): 218.01
    ACD/KOC (pH 7.4): 1637.79
    Polar Surface Area: 112 Å2
    Polarizability: 46.3±0.5 10-24cm3
    Surface Tension: 66.3±3.0 dyne/cm
    Molar Volume: 318.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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