ChemSpider 2D Image | 1-{4-[4-({[2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl}amino)phenyl]-1-piperazinyl}ethanone | C26H29Cl2N5O3

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

  • Molecular FormulaC26H29Cl2N5O3
  • Average mass530.446 Da
  • Monoisotopic mass529.164734 Da
  • ChemSpider ID34518715

More details:

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

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

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

Density: 1.4±0.1 g/cm3
Boiling Point: 769.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.1±3.0 kJ/mol
Flash Point: 419.3±32.9 °C
Index of Refraction: 1.656
Molar Refractivity: 140.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 1.23
ACD/BCF (pH 5.5): 1.34
ACD/KOC (pH 5.5): 8.85
ACD/LogD (pH 7.4): 3.46
ACD/BCF (pH 7.4): 230.32
ACD/KOC (pH 7.4): 1526.41
Polar Surface Area: 72 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 53.3±7.0 dyne/cm
Molar Volume: 383.2±7.0 cm3

Click to predict properties on the Chemicalize site


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