Found 45 results

Search term: MF = 'C_{29}H_{28}ClF_{3}N_{4}O_{2}'
ChemSpider 2D Image | 4-[2-(4-Chlorophenyl)-2-{[4-(trifluoromethyl)benzyl]oxy}ethyl]-N-[4-(cyanomethyl)phenyl]-1-piperazinecarboxamide | C29H28ClF3N4O2

4-[2-(4-Chlorophenyl)-2-{[4-(trifluoromethyl)benzyl]oxy}ethyl]-N-[4-(cyanomethyl)phenyl]-1-piperazinecarboxamide

  • Molecular FormulaC29H28ClF3N4O2
  • Average mass557.006 Da
  • Monoisotopic mass556.185303 Da
  • ChemSpider ID22793001

More details:

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

1-Piperazinecarboxamide, 4-[2-(4-chlorophenyl)-2-[[4-(trifluoromethyl)phenyl]methoxy]ethyl]-N-[4-(cyanomethyl)phenyl]- [ACD/Index Name]
4-[2-(4-Chlorophenyl)-2-{[4-(trifluoromethyl)benzyl]oxy}ethyl]-N-[4-(cyanomethyl)phenyl]-1-piperazinecarboxamide [ACD/IUPAC Name]
4-[2-(4-Chlorophényl)-2-{[4-(trifluorométhyl)benzyl]oxy}éthyl]-N-[4-(cyanométhyl)phényl]-1-pipérazinecarboxamide [French] [ACD/IUPAC Name]
4-[2-(4-Chlorphenyl)-2-{[4-(trifluormethyl)benzyl]oxy}ethyl]-N-[4-(cyanmethyl)phenyl]-1-piperazincarboxamid [German] [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: 683.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.3±3.0 kJ/mol
Flash Point: 367.3±31.5 °C
Index of Refraction: 1.596
Molar Refractivity: 143.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.54
ACD/LogD (pH 5.5): 5.16
ACD/BCF (pH 5.5): 3717.31
ACD/KOC (pH 5.5): 9045.38
ACD/LogD (pH 7.4): 5.64
ACD/BCF (pH 7.4): 11321.80
ACD/KOC (pH 7.4): 27549.46
Polar Surface Area: 69 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 52.4±3.0 dyne/cm
Molar Volume: 421.4±3.0 cm3

Click to predict properties on the Chemicalize site


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