ChemSpider 2D Image | 1-[6-(Adamantan-1-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-N-benzyl-N-methylmethanamine | C22H27N5S

1-[6-(Adamantan-1-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-N-benzyl-N-methylmethanamine

  • Molecular FormulaC22H27N5S
  • Average mass393.548 Da
  • Monoisotopic mass393.198730 Da
  • ChemSpider ID30439396

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-methanamine, N-methyl-N-(phenylmethyl)-6-tricyclo[3.3.1.13,7]dec-1-yl- [ACD/Index Name]
1-[6-(Adamantan-1-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-N-benzyl-N-methylmethanamin [German] [ACD/IUPAC Name]
1-[6-(Adamantan-1-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-N-benzyl-N-methylmethanamine [ACD/IUPAC Name]
1-[6-(Adamantan-1-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-N-benzyl-N-méthylméthanamine [French] [ACD/IUPAC Name]
(6-Adamantan-1-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-ylmethyl)-benzyl-methyl-amine
1447972-55-5 [RN]
AGN-PC-0JI6QI
AO-365/43473573
MolPort-027-892-195
N-[[6-(1-adamantyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl]-N-methyl-1-phenylmethanamine
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.785
    Molar Refractivity: 113.9±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: 5.48
    ACD/LogD (pH 5.5): 4.26
    ACD/BCF (pH 5.5): 756.96
    ACD/KOC (pH 5.5): 2791.54
    ACD/LogD (pH 7.4): 4.80
    ACD/BCF (pH 7.4): 2607.85
    ACD/KOC (pH 7.4): 9617.31
    Polar Surface Area: 75 Å2
    Polarizability: 45.1±0.5 10-24cm3
    Surface Tension: 62.4±7.0 dyne/cm
    Molar Volume: 270.2±7.0 cm3

    Click to predict properties on the Chemicalize site


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