ChemSpider 2D Image | 3-(1-Azepanylmethyl)-6-[(E)-2-phenylvinyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole | C18H21N5S

3-(1-Azepanylmethyl)-6-[(E)-2-phenylvinyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

  • Molecular FormulaC18H21N5S
  • Average mass339.458 Da
  • Monoisotopic mass339.151764 Da
  • ChemSpider ID26022890

  • Double-bond stereo - Double-bond stereo

More details:

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

1,2,4-Triazolo[3,4-b][1,3,4]thiadiazole, 3-[(hexahydro-1H-azepin-1-yl)methyl]-6-[(E)-2-phenylethenyl]- [ACD/Index Name]
3-(1-Azepanylmethyl)-6-[(E)-2-phenylvinyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol [German] [ACD/IUPAC Name]
3-(1-Azepanylmethyl)-6-[(E)-2-phenylvinyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole [ACD/IUPAC Name]
3-(1-Azépanylméthyl)-6-[(E)-2-phénylvinyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole [French] [ACD/IUPAC Name]
1-({6-[(E)-2-phenylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}methyl)azepane
1246086-18-9 [RN]
3-(1-azepanylmethyl)-6-(2-phenylvinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole [ACD/IUPAC Name]
3-(azepan-1-ylmethyl)-6-[(E)-2-phenylethenyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
3-(azepan-1-ylmethyl)-6-[(E)-2-phenylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
3-(azepan-1-ylmethyl)-6-[(E)-2-phenylvinyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
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    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: 1.703
    Molar Refractivity: 100.2±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 1
    ACD/LogP: 5.07
    ACD/LogD (pH 5.5): 2.08
    ACD/BCF (pH 5.5): 10.02
    ACD/KOC (pH 5.5): 69.29
    ACD/LogD (pH 7.4): 3.42
    ACD/BCF (pH 7.4): 215.55
    ACD/KOC (pH 7.4): 1491.13
    Polar Surface Area: 75 Å2
    Polarizability: 39.7±0.5 10-24cm3
    Surface Tension: 56.0±7.0 dyne/cm
    Molar Volume: 258.5±7.0 cm3

    Click to predict properties on the Chemicalize site


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