ChemSpider 2D Image | 1-[4-(4-{[(2S,4S)-2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)(4-~3~H)-1,3-dioxolan-4-yl]methoxy}phenyl)-1-piperazinyl]ethanone | C26H27TCl2N4O4

1-[4-(4-{[(2S,4S)-2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)(4-3H)-1,3-dioxolan-4-yl]methoxy}phenyl)-1-piperazinyl]ethanone

  • Molecular FormulaC26H27TCl2N4O4
  • Average mass533.439 Da
  • Monoisotopic mass532.156982 Da
  • ChemSpider ID57268755

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

1-[4-(4-{[(2S,4S)-2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)(4-3H)-1,3-dioxolan-4-yl]methoxy}phenyl)-1-piperazinyl]ethanone [ACD/IUPAC Name]
1-[4-(4-{[(2S,4S)-2-(2,4-Dichlorophényl)-2-(1H-imidazol-1-ylméthyl)(4-3H)-1,3-dioxolan-4-yl]méthoxy}phényl)-1-pipérazinyl]éthanone [French] [ACD/IUPAC Name]
1-[4-(4-{[(2S,4S)-2-(2,4-Dichlorphenyl)-2-(1H-imidazol-1-ylmethyl)(4-3H)-1,3-dioxolan-4-yl]methoxy}phenyl)-1-piperazinyl]ethanon [German] [ACD/IUPAC Name]
Ethanone, 1-[4-[4-[[(2S,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl-4-t]methoxy]phenyl]-1-piperazinyl]- [ACD/Index Name]
KETOCONAZOLE [3H(G)]

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

Density:
Boiling Point: 753.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.8±3.0 kJ/mol
Flash Point: 409.4±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.55
ACD/LogD (pH 5.5): 2.23
ACD/BCF (pH 5.5): 13.55
ACD/KOC (pH 5.5): 91.12
ACD/LogD (pH 7.4): 3.49
ACD/BCF (pH 7.4): 249.50
ACD/KOC (pH 7.4): 1677.54
Polar Surface Area: 69 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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