ChemSpider 2D Image | 2-{4-[2-(4-Chloro-3,5-dimethylphenoxy)ethyl]-1-piperazinyl}-4-[(2-chlorophenoxy)methyl]-5-pyrimidinecarboxylic acid | C26H28Cl2N4O4

2-{4-[2-(4-Chloro-3,5-dimethylphenoxy)ethyl]-1-piperazinyl}-4-[(2-chlorophenoxy)methyl]-5-pyrimidinecarboxylic acid

  • Molecular FormulaC26H28Cl2N4O4
  • Average mass531.431 Da
  • Monoisotopic mass530.148743 Da
  • ChemSpider ID68395936

More details:

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

2-{4-[2-(4-Chlor-3,5-dimethylphenoxy)ethyl]-1-piperazinyl}-4-[(2-chlorphenoxy)methyl]-5-pyrimidincarbonsäure [German] [ACD/IUPAC Name]
2-{4-[2-(4-Chloro-3,5-dimethylphenoxy)ethyl]-1-piperazinyl}-4-[(2-chlorophenoxy)methyl]-5-pyrimidinecarboxylic acid [ACD/IUPAC Name]
5-Pyrimidinecarboxylic acid, 2-[4-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-1-piperazinyl]-4-[(2-chlorophenoxy)methyl]- [ACD/Index Name]
Acide 2-{4-[2-(4-chloro-3,5-diméthylphénoxy)éthyl]-1-pipérazinyl}-4-[(2-chlorophénoxy)méthyl]-5-pyrimidinecarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 725.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.2±3.0 kJ/mol
Flash Point: 392.5±35.7 °C
Index of Refraction: 1.616
Molar Refractivity: 139.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.72
ACD/LogD (pH 5.5): 3.62
ACD/BCF (pH 5.5): 86.71
ACD/KOC (pH 5.5): 173.84
ACD/LogD (pH 7.4): 3.07
ACD/BCF (pH 7.4): 24.60
ACD/KOC (pH 7.4): 49.33
Polar Surface Area: 88 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 57.1±3.0 dyne/cm
Molar Volume: 398.9±3.0 cm3

Click to predict properties on the Chemicalize site


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