ChemSpider 2D Image | 4-(2-Oxo-2-{[2-(trifluoromethyl)phenyl]amino}ethyl)-N-(3-phenoxypropyl)-1-piperazinecarboxamide | C23H27F3N4O3

4-(2-Oxo-2-{[2-(trifluoromethyl)phenyl]amino}ethyl)-N-(3-phenoxypropyl)-1-piperazinecarboxamide

  • Molecular FormulaC23H27F3N4O3
  • Average mass464.481 Da
  • Monoisotopic mass464.203522 Da
  • ChemSpider ID22383456

More details:

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

1-Piperazineacetamide, 4-[[(3-phenoxypropyl)amino]carbonyl]-N-[2-(trifluoromethyl)phenyl]- [ACD/Index Name]
4-(2-Oxo-2-{[2-(trifluormethyl)phenyl]amino}ethyl)-N-(3-phenoxypropyl)-1-piperazincarboxamid [German] [ACD/IUPAC Name]
4-(2-Oxo-2-{[2-(trifluoromethyl)phenyl]amino}ethyl)-N-(3-phenoxypropyl)-1-piperazinecarboxamide [ACD/IUPAC Name]
4-(2-Oxo-2-{[2-(trifluorométhyl)phényl]amino}éthyl)-N-(3-phénoxypropyl)-1-pipérazinecarboxamide [French] [ACD/IUPAC Name]
N-(3-PHENOXYPROPYL)-4-({[2-(TRIFLUOROMETHYL)PHENYL]CARBAMOYL}METHYL)PIPERAZINE-1-CARBOXAMIDE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 678.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.6±3.0 kJ/mol
Flash Point: 364.1±31.5 °C
Index of Refraction: 1.562
Molar Refractivity: 117.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.39
ACD/LogD (pH 5.5): 3.05
ACD/BCF (pH 5.5): 121.18
ACD/KOC (pH 5.5): 1066.07
ACD/LogD (pH 7.4): 3.07
ACD/BCF (pH 7.4): 126.28
ACD/KOC (pH 7.4): 1110.91
Polar Surface Area: 74 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 47.5±3.0 dyne/cm
Molar Volume: 362.1±3.0 cm3

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