ChemSpider 2D Image | 4-(4-{[(2R)-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-1-isopropylpiperazin-1-ium | C26H32Cl2N5O3

4-(4-{[(2R)-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-1-isopropylpiperazin-1-ium

  • Molecular FormulaC26H32Cl2N5O3
  • Average mass533.469 Da
  • Monoisotopic mass532.187683 Da
  • ChemSpider ID24813055

  • Charge - Charge

    defined stereocentres - 1 of 2 defined stereocentres

More details:

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

4-(4-{[(2R)-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-1-isopropylpiperazin-1-ium [ACD/IUPAC Name]
4-(4-{[(2R)-2-(2,4-Dichlorophényl)-2-(1H-1,2,4-triazol-1-ylméthyl)-1,3-dioxolan-4-yl]méthoxy}phényl)-1-isopropylpipérazin-1-ium [French] [ACD/IUPAC Name]
4-(4-{[(2R)-2-(2,4-Dichlorphenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-1-isopropylpiperazin-1-ium [German] [ACD/IUPAC Name]
Piperazine, 1-[4-[[(2R)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-4-(1-methylethyl)-, conjugate monoacid [ACD/Index Name]
ZINC03873935

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

Density:
Boiling Point: 681.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.0±3.0 kJ/mol
Flash Point: 366.1±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.65
ACD/LogD (pH 5.5): 1.61
ACD/BCF (pH 5.5): 2.73
ACD/KOC (pH 5.5): 15.75
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 134.79
ACD/KOC (pH 7.4): 776.71
Polar Surface Area: 66 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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