ChemSpider 2D Image | N-[(2S)-1-Hydroxy-4-(methylsulfanyl)-2-butanyl]-3-(6-methoxy[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide | C14H21N5O3S

N-[(2S)-1-Hydroxy-4-(methylsulfanyl)-2-butanyl]-3-(6-methoxy[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide

  • Molecular FormulaC14H21N5O3S
  • Average mass339.413 Da
  • Monoisotopic mass339.136505 Da
  • ChemSpider ID32515180

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1,2,4-Triazolo[4,3-b]pyridazine-3-propanamide, N-[(1S)-1-(hydroxymethyl)-3-(methylthio)propyl]-6-methoxy- [ACD/Index Name]
N-[(2S)-1-Hydroxy-4-(methylsulfanyl)-2-butanyl]-3-(6-methoxy[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamid [German] [ACD/IUPAC Name]
N-[(2S)-1-Hydroxy-4-(methylsulfanyl)-2-butanyl]-3-(6-methoxy[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide [ACD/IUPAC Name]
N-[(2S)-1-Hydroxy-4-(méthylsulfanyl)-2-butanyl]-3-(6-méthoxy[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide [French] [ACD/IUPAC Name]
1630910-18-7 [RN]
N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide

    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: 1.646
    Molar Refractivity: 88.7±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 0
    ACD/LogP: -0.42
    ACD/LogD (pH 5.5): 0.23
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 31.85
    ACD/LogD (pH 7.4): 0.23
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 31.85
    Polar Surface Area: 127 Å2
    Polarizability: 35.2±0.5 10-24cm3
    Surface Tension: 54.3±7.0 dyne/cm
    Molar Volume: 244.4±7.0 cm3

    Click to predict properties on the Chemicalize site


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