ChemSpider 2D Image | 1-(5-{[2-(1-Piperidinyl)phenyl]amino}-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl)ethanone | C22H22F3N5O2

1-(5-{[2-(1-Piperidinyl)phenyl]amino}-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl)ethanone

  • Molecular FormulaC22H22F3N5O2
  • Average mass445.438 Da
  • Monoisotopic mass445.172546 Da
  • ChemSpider ID21906703

More details:

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

1-(5-{[2-(1-Piperidinyl)phenyl]amino}-2-[4-(trifluormethoxy)phenyl]-2H-1,2,3-triazol-4-yl)ethanon [German] [ACD/IUPAC Name]
1-(5-{[2-(1-Piperidinyl)phenyl]amino}-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl)ethanone [ACD/IUPAC Name]
1-(5-{[2-(1-Pipéridinyl)phényl]amino}-2-[4-(trifluorométhoxy)phényl]-2H-1,2,3-triazol-4-yl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[5-[[2-(1-piperidinyl)phenyl]amino]-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 549.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.0±3.0 kJ/mol
Flash Point: 286.3±32.9 °C
Index of Refraction: 1.612
Molar Refractivity: 113.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.83
ACD/LogD (pH 5.5): 4.21
ACD/BCF (pH 5.5): 730.32
ACD/KOC (pH 5.5): 2904.89
ACD/LogD (pH 7.4): 4.65
ACD/BCF (pH 7.4): 2016.37
ACD/KOC (pH 7.4): 8020.28
Polar Surface Area: 72 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 45.6±7.0 dyne/cm
Molar Volume: 325.1±7.0 cm3

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