ChemSpider 2D Image | trans-N-(1-Benzyl-4-piperidinyl)-4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexanecarboxamide | C27H33N5O2

trans-N-(1-Benzyl-4-piperidinyl)-4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexanecarboxamide

  • Molecular FormulaC27H33N5O2
  • Average mass459.583 Da
  • Monoisotopic mass459.263428 Da
  • ChemSpider ID23496422

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Cyclohexanecarboxamide, 4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]-N-[1-(phenylmethyl)-4-piperidinyl]-, trans- [ACD/Index Name]
trans-N-(1-Benzyl-4-piperidinyl)-4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexancarboxamid [German] [ACD/IUPAC Name]
trans-N-(1-Benzyl-4-piperidinyl)-4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexanecarboxamide [ACD/IUPAC Name]
trans-N-(1-Benzyl-4-pipéridinyl)-4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)méthyl]cyclohexanecarboxamide [French] [ACD/IUPAC Name]
1212221-37-8 [RN]
4-(4-Oxo-4H-benzo[d][1,2,3]triazin-3-ylmethyl)-cyclohexanecarboxylic acid (1-benzyl-piperidin-4-yl)-amide
trans-N-(1-benzylpiperidin-4-yl)-4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexanecarboxamide

    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: 1.674
    Molar Refractivity: 133.0±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.08
    ACD/LogD (pH 5.5): 1.29
    ACD/BCF (pH 5.5): 1.54
    ACD/KOC (pH 5.5): 10.18
    ACD/LogD (pH 7.4): 3.00
    ACD/BCF (pH 7.4): 78.41
    ACD/KOC (pH 7.4): 518.16
    Polar Surface Area: 77 Å2
    Polarizability: 52.7±0.5 10-24cm3
    Surface Tension: 54.2±7.0 dyne/cm
    Molar Volume: 354.5±7.0 cm3

    Click to predict properties on the Chemicalize site


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