ChemSpider 2D Image | Methyl {1-[(2-{[4-(1H-1,2,4-triazol-1-yl)benzyl]amino}-1,3-thiazol-4-yl)carbonyl]-4-piperidinyl}acetate | C21H24N6O3S

Methyl {1-[(2-{[4-(1H-1,2,4-triazol-1-yl)benzyl]amino}-1,3-thiazol-4-yl)carbonyl]-4-piperidinyl}acetate

  • Molecular FormulaC21H24N6O3S
  • Average mass440.519 Da
  • Monoisotopic mass440.163055 Da
  • ChemSpider ID27328984

More details:

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

{1-[(2-{[4-(1H-1,2,4-Triazol-1-yl)benzyl]amino}-1,3-thiazol-4-yl)carbonyl]-4-pipéridinyl}acétate de méthyle [French] [ACD/IUPAC Name]
4-Piperidineacetic acid, 1-[[2-[[[4-(1H-1,2,4-triazol-1-yl)phenyl]methyl]amino]-4-thiazolyl]carbonyl]-, methyl ester [ACD/Index Name]
Methyl {1-[(2-{[4-(1H-1,2,4-triazol-1-yl)benzyl]amino}-1,3-thiazol-4-yl)carbonyl]-4-piperidinyl}acetate [ACD/IUPAC Name]
Methyl-{1-[(2-{[4-(1H-1,2,4-triazol-1-yl)benzyl]amino}-1,3-thiazol-4-yl)carbonyl]-4-piperidinyl}acetat [German] [ACD/IUPAC Name]
{1-[2-(4-[1,2,4]Triazol-1-yl-benzylamino)-thiazole-4-carbonyl]-piperidin-4-yl}-acetic acid methyl ester
1324074-51-2 [RN]
methyl {1-[(2-{[4-(1H-1,2,4-triazol-1-yl)benzyl]amino}-1,3-thiazol-4-yl)carbonyl]piperidin-4-yl}acetate
methyl 2-[1-[2-[[4-(1,2,4-triazol-1-yl)phenyl]methylamino]-1,3-thiazole-4-carbonyl]piperidin-4-yl]acetate

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 662.7±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 97.5±3.0 kJ/mol
    Flash Point: 354.6±34.3 °C
    Index of Refraction: 1.697
    Molar Refractivity: 120.0±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 0.40
    ACD/LogD (pH 5.5): 1.81
    ACD/BCF (pH 5.5): 13.90
    ACD/KOC (pH 5.5): 228.71
    ACD/LogD (pH 7.4): 1.81
    ACD/BCF (pH 7.4): 13.94
    ACD/KOC (pH 7.4): 229.50
    Polar Surface Area: 130 Å2
    Polarizability: 47.6±0.5 10-24cm3
    Surface Tension: 59.7±7.0 dyne/cm
    Molar Volume: 311.5±7.0 cm3

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