ChemSpider 2D Image | MFCD02641938 | C30H31N5O3S

MFCD02641938

  • Molecular FormulaC30H31N5O3S
  • Average mass541.664 Da
  • Monoisotopic mass541.214783 Da
  • ChemSpider ID4744998

  • Double-bond stereo - Double-bond stereo

More details:

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

4-[(1E)-N-({[5-(4-tert-Butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)ethanehydrazonoyl]phenyl acetate
4-[(1E)-N-({[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio}acetyl)ethanehydrazonoyl]phenyl acetate
4-{(1E)-N-[({5-[4-(2-Methyl-2-propanyl)phenyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]ethanehydrazonoyl}phenyl acetate [ACD/IUPAC Name]
4-{(1E)-N-[({5-[4-(2-Methyl-2-propanyl)phenyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]ethanehydrazonoyl}phenyl-acetat [German] [ACD/IUPAC Name]
Acétate de 4-{(1E)-N-[2-({5-[4-(2-méthyl-2-propanyl)phényl]-4-phényl-4H-1,2,4-triazol-3-yl}sulfanyl)acétyl]ethanehydrazonoyl}phényle [French] [ACD/IUPAC Name]
Acetic acid, 2-[[5-[4-(1,1-dimethylethyl)phenyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(1E)-1-[4-(acetyloxy)phenyl]ethylidene]hydrazide [ACD/Index Name]
MFCD02641938
(E)-4-(1-(2-(2-((5-(4-(tert-butyl)phenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)ethyl)phenyl acetate
[4-[(E)-N-[[2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-C-methylcarbonimidoyl]phenyl] acetate
361164-62-7 [RN]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.621
    Molar Refractivity: 157.3±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 7.48
    ACD/LogD (pH 5.5): 5.99
    ACD/BCF (pH 5.5): 20916.66
    ACD/KOC (pH 5.5): 43071.70
    ACD/LogD (pH 7.4): 5.99
    ACD/BCF (pH 7.4): 20914.84
    ACD/KOC (pH 7.4): 43067.96
    Polar Surface Area: 124 Å2
    Polarizability: 62.4±0.5 10-24cm3
    Surface Tension: 46.0±7.0 dyne/cm
    Molar Volume: 446.9±7.0 cm3

    Click to predict properties on the Chemicalize site


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