ChemSpider 2D Image | 3-{[(2S,4S)-4-{[4-(4-Acetyl-1-piperazinyl)phenoxy]methyl}-2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl}-1H-imidazol-3-ium | C26H29Cl2N4O4

3-{[(2S,4S)-4-{[4-(4-Acetyl-1-piperazinyl)phenoxy]methyl}-2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl}-1H-imidazol-3-ium

  • Molecular FormulaC26H29Cl2N4O4
  • Average mass532.438 Da
  • Monoisotopic mass531.156067 Da
  • ChemSpider ID3571872

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1H-Imidazolium, 3-[[(2S,4S)-4-[[4-(4-acetyl-1-piperazinyl)phenoxy]methyl]-2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl]- [ACD/Index Name]
3-{[(2S,4S)-4-{[4-(4-Acetyl-1-piperazinyl)phenoxy]methyl}-2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl}-1H-imidazol-3-ium [ACD/IUPAC Name]
3-{[(2S,4S)-4-{[4-(4-Acétyl-1-pipérazinyl)phénoxy]méthyl}-2-(2,4-dichlorophényl)-1,3-dioxolan-2-yl]méthyl}-1H-imidazol-3-ium [French] [ACD/IUPAC Name]
3-{[(2S,4S)-4-{[4-(4-Acetyl-1-piperazinyl)phenoxy]methyl}-2-(2,4-dichlorphenyl)-1,3-dioxolan-2-yl]methyl}-1H-imidazol-3-ium [German] [ACD/IUPAC Name]
KTN

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

Density:
Boiling Point:
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Enthalpy of Vaporization:
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Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 71 Å2
Polarizability:
Surface Tension:
Molar Volume:

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