ChemSpider 2D Image | 4-{2-(4-Chlorophenyl)-2-[(3-methylbenzyl)oxy]ethyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-piperazinecarboxamide | C31H38ClN3O4

4-{2-(4-Chlorophenyl)-2-[(3-methylbenzyl)oxy]ethyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-piperazinecarboxamide

  • Molecular FormulaC31H38ClN3O4
  • Average mass552.104 Da
  • Monoisotopic mass551.255066 Da
  • ChemSpider ID22792671

More details:

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

1-Piperazinecarboxamide, 4-[2-(4-chlorophenyl)-2-[(3-methylphenyl)methoxy]ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]- [ACD/Index Name]
4-{2-(4-Chlorophenyl)-2-[(3-methylbenzyl)oxy]ethyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-piperazinecarboxamide [ACD/IUPAC Name]
4-{2-(4-Chlorophényl)-2-[(3-méthylbenzyl)oxy]éthyl}-N-[2-(3,4-diméthoxyphényl)éthyl]-1-pipérazinecarboxamide [French] [ACD/IUPAC Name]
4-{2-(4-Chlorphenyl)-2-[(3-methylbenzyl)oxy]ethyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-piperazincarboxamid [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 706.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.3±3.0 kJ/mol
Flash Point: 380.9±32.9 °C
Index of Refraction: 1.583
Molar Refractivity: 155.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.02
ACD/LogD (pH 5.5): 4.84
ACD/BCF (pH 5.5): 1929.54
ACD/KOC (pH 5.5): 4971.40
ACD/LogD (pH 7.4): 5.52
ACD/BCF (pH 7.4): 9058.15
ACD/KOC (pH 7.4): 23338.02
Polar Surface Area: 63 Å2
Polarizability: 61.5±0.5 10-24cm3
Surface Tension: 47.4±3.0 dyne/cm
Molar Volume: 464.7±3.0 cm3

Click to predict properties on the Chemicalize site


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