ChemSpider 2D Image | N-[5-(3,5-Difluorobenzyl)-1H-1,2,4-triazol-3-yl]-1-(2-pyrimidinyl)-3-piperidinecarboxamide | C19H19F2N7O

N-[5-(3,5-Difluorobenzyl)-1H-1,2,4-triazol-3-yl]-1-(2-pyrimidinyl)-3-piperidinecarboxamide

  • Molecular FormulaC19H19F2N7O
  • Average mass399.397 Da
  • Monoisotopic mass399.161926 Da
  • ChemSpider ID32513784

More details:

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

3-Piperidinecarboxamide, N-[5-[(3,5-difluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-1-(2-pyrimidinyl)- [ACD/Index Name]
N-[5-(3,5-Difluorbenzyl)-1H-1,2,4-triazol-3-yl]-1-(2-pyrimidinyl)-3-piperidincarboxamid [German] [ACD/IUPAC Name]
N-[5-(3,5-Difluorobenzyl)-1H-1,2,4-triazol-3-yl]-1-(2-pyrimidinyl)-3-piperidinecarboxamide [ACD/IUPAC Name]
N-[5-(3,5-Difluorobenzyl)-1H-1,2,4-triazol-3-yl]-1-(2-pyrimidinyl)-3-pipéridinecarboxamide [French] [ACD/IUPAC Name]
1630835-44-7 [RN]
1-Pyrimidin-2-yl-piperidine-3-carboxylic acid [5-(3,5-difluoro-benzyl)-1H-[1,2,4]triazol-3-yl]-amide
N-[3-(3,5-difluorobenzyl)-1H-1,2,4-triazol-5-yl]-1-(pyrimidin-2-yl)piperidine-3-carboxamide
N-[5-[(3,5-difluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide

    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: 1.642
    Molar Refractivity: 100.9±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.27
    ACD/LogD (pH 5.5): 2.14
    ACD/BCF (pH 5.5): 23.17
    ACD/KOC (pH 5.5): 302.96
    ACD/LogD (pH 7.4): 2.27
    ACD/BCF (pH 7.4): 31.12
    ACD/KOC (pH 7.4): 406.85
    Polar Surface Area: 100 Å2
    Polarizability: 40.0±0.5 10-24cm3
    Surface Tension: 73.0±3.0 dyne/cm
    Molar Volume: 279.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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