ChemSpider 2D Image | N-[(1S)-3-(Methylsulfanyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide | C21H23N7O2S

N-[(1S)-3-(Methylsulfanyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide

  • Molecular FormulaC21H23N7O2S
  • Average mass437.518 Da
  • Monoisotopic mass437.163391 Da
  • ChemSpider ID32081369

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1,2,3-Benzotriazine-3(4H)-butanamide, N-[(1S)-3-(methylthio)-1-(1,2,4-triazolo[4,3-a]pyridin-3-yl)propyl]-4-oxo- [ACD/Index Name]
N-[(1S)-3-(Methylsulfanyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamid [German] [ACD/IUPAC Name]
N-[(1S)-3-(Methylsulfanyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide [ACD/IUPAC Name]
N-[(1S)-3-(Méthylsulfanyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide [French] [ACD/IUPAC Name]
1574336-64-3 [RN]
N-[(1S)-3-(methylthio)-1-[1,2,4]triazolo[4,3-a]pyridin-3-ylpropyl]-4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide
N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide

    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: 1.715
    Molar Refractivity: 121.6±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 0
    ACD/LogP: 2.18
    ACD/LogD (pH 5.5): 2.48
    ACD/BCF (pH 5.5): 44.86
    ACD/KOC (pH 5.5): 529.33
    ACD/LogD (pH 7.4): 2.48
    ACD/BCF (pH 7.4): 44.97
    ACD/KOC (pH 7.4): 530.63
    Polar Surface Area: 130 Å2
    Polarizability: 48.2±0.5 10-24cm3
    Surface Tension: 61.3±7.0 dyne/cm
    Molar Volume: 309.7±7.0 cm3

    Click to predict properties on the Chemicalize site


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