ChemSpider 2D Image | N-(2-Methylphenyl)-2-[4-(2-oxo-2-{[4-(trifluoromethoxy)phenyl]amino}ethyl)-1-piperazinyl]propanamide | C23H27F3N4O3

N-(2-Methylphenyl)-2-[4-(2-oxo-2-{[4-(trifluoromethoxy)phenyl]amino}ethyl)-1-piperazinyl]propanamide

  • Molecular FormulaC23H27F3N4O3
  • Average mass464.481 Da
  • Monoisotopic mass464.203522 Da
  • ChemSpider ID22543297

More details:

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

1,4-Piperazinediacetamide, α1-methyl-N1-(2-methylphenyl)-N4-[4-(trifluoromethoxy)phenyl]- [ACD/Index Name]
N-(2-Methylphenyl)-2-[4-(2-oxo-2-{[4-(trifluormethoxy)phenyl]amino}ethyl)-1-piperazinyl]propanamid [German] [ACD/IUPAC Name]
N-(2-Methylphenyl)-2-[4-(2-oxo-2-{[4-(trifluoromethoxy)phenyl]amino}ethyl)-1-piperazinyl]propanamide [ACD/IUPAC Name]
N-(2-Méthylphényl)-2-[4-(2-oxo-2-{[4-(trifluorométhoxy)phényl]amino}éthyl)-1-pipérazinyl]propanamide [French] [ACD/IUPAC Name]
N-(2-METHYLPHENYL)-2-[4-({[4-(TRIFLUOROMETHOXY)PHENYL]CARBAMOYL}METHYL)PIPERAZIN-1-YL]PROPANAMIDE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 615.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.3±3.0 kJ/mol
Flash Point: 325.9±31.5 °C
Index of Refraction: 1.582
Molar Refractivity: 119.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.39
ACD/LogD (pH 5.5): 3.22
ACD/BCF (pH 5.5): 155.46
ACD/KOC (pH 5.5): 1200.08
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 199.40
ACD/KOC (pH 7.4): 1539.21
Polar Surface Area: 74 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 49.5±3.0 dyne/cm
Molar Volume: 356.9±3.0 cm3

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