ChemSpider 2D Image | 2-{[5-(4-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(diphenylmethyl)piperazin-1-yl]ethanone | C29H32N6OS

2-{[5-(4-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(diphenylmethyl)piperazin-1-yl]ethanone

  • Molecular FormulaC29H32N6OS
  • Average mass512.669 Da
  • Monoisotopic mass512.235840 Da
  • ChemSpider ID2953131

More details:

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

2-{[5-(4-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(diphenylmethyl)piperazin-1-yl]ethanone
2-{[5-(4-Aminophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(diphenylmethyl)-1-piperazinyl]ethanon [German] [ACD/IUPAC Name]
2-{[5-(4-Aminophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(diphenylmethyl)-1-piperazinyl]ethanone [ACD/IUPAC Name]
2-{[5-(4-Aminophényl)-4-éthyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(diphénylméthyl)-1-pipérazinyl]éthanone [French] [ACD/IUPAC Name]
2-{[5-(4-aminophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(diphenylmethyl)piperazin-1-yl]ethan-1-one
Ethanone, 2-[[5-(4-aminophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]thio]-1-[4-(diphenylmethyl)-1-piperazinyl]- [ACD/Index Name]
2-[[5-(4-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-benzhydrylpiperazin-1-yl)ethanone
2-[5-(4-Amino-phenyl)-4-ethyl-4H-[1,2,4]triazol-3-ylsulfanyl]-1-(4-benzhydryl-piperazin-1-yl)-ethanone
2-{[5-(4-aminophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(diphenylmethyl)piperazin-1-yl]ethanone
638996-20-0 [RN]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 724.8±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 105.8±3.0 kJ/mol
    Flash Point: 392.1±35.7 °C
    Index of Refraction: 1.671
    Molar Refractivity: 151.8±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: 5.21
    ACD/LogD (pH 5.5): 4.11
    ACD/BCF (pH 5.5): 733.20
    ACD/KOC (pH 5.5): 3644.59
    ACD/LogD (pH 7.4): 4.21
    ACD/BCF (pH 7.4): 938.24
    ACD/KOC (pH 7.4): 4663.84
    Polar Surface Area: 106 Å2
    Polarizability: 60.2±0.5 10-24cm3
    Surface Tension: 53.4±7.0 dyne/cm
    Molar Volume: 405.7±7.0 cm3

    Click to predict properties on the Chemicalize site


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