ChemSpider 2D Image | N-[(1S)-3-(Methylsulfanyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(3-oxo-5,6,7,8-tetrahydro-2(3H)-cinnolinyl)acetamide | C20H24N6O2S

N-[(1S)-3-(Methylsulfanyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(3-oxo-5,6,7,8-tetrahydro-2(3H)-cinnolinyl)acetamide

  • Molecular FormulaC20H24N6O2S
  • Average mass412.509 Da
  • Monoisotopic mass412.168152 Da
  • ChemSpider ID32081187

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2(3H)-Cinnolineacetamide, 5,6,7,8-tetrahydro-N-[(1S)-3-(methylthio)-1-(1,2,4-triazolo[4,3-a]pyridin-3-yl)propyl]-3-oxo- [ACD/Index Name]
N-[(1S)-3-(Methylsulfanyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(3-oxo-5,6,7,8-tetrahydro-2(3H)-cinnolinyl)acetamid [German] [ACD/IUPAC Name]
N-[(1S)-3-(Methylsulfanyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(3-oxo-5,6,7,8-tetrahydro-2(3H)-cinnolinyl)acetamide [ACD/IUPAC Name]
N-[(1S)-3-(Méthylsulfanyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(3-oxo-5,6,7,8-tétrahydro-2(3H)-cinnolinyl)acétamide [French] [ACD/IUPAC Name]
1574471-27-4 [RN]
N-[(1S)-3-(methylsulfanyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2(3H)-yl)acetamide
N-[(1S)-3-(methylthio)-1-[1,2,4]triazolo[4,3-a]pyridin-3-ylpropyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2(3H)-yl)acetamide
N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide

    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: 1.719
    Molar Refractivity: 114.0±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 1.27
    ACD/LogD (pH 5.5): 1.68
    ACD/BCF (pH 5.5): 11.10
    ACD/KOC (pH 5.5): 194.83
    ACD/LogD (pH 7.4): 1.68
    ACD/BCF (pH 7.4): 11.13
    ACD/KOC (pH 7.4): 195.23
    Polar Surface Area: 117 Å2
    Polarizability: 45.2±0.5 10-24cm3
    Surface Tension: 61.1±7.0 dyne/cm
    Molar Volume: 289.0±7.0 cm3

    Click to predict properties on the Chemicalize site


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