ChemSpider 2D Image | 2-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]-1-{4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl}ethanone | C17H17F6N5O

2-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]-1-{4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl}ethanone

  • Molecular FormulaC17H17F6N5O
  • Average mass421.340 Da
  • Monoisotopic mass421.133728 Da
  • ChemSpider ID33157850

More details:

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

2-[3-(Trifluormethyl)-1H-pyrazol-1-yl]-1-{4-[5-(trifluormethyl)-2-pyridinyl]-1,4-diazepan-1-yl}ethanon [German] [ACD/IUPAC Name]
2-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]-1-{4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl}ethanone [ACD/IUPAC Name]
2-[3-(Trifluorométhyl)-1H-pyrazol-1-yl]-1-{4-[5-(trifluorométhyl)-2-pyridinyl]-1,4-diazépan-1-yl}éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[hexahydro-4-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,4-diazepin-1-yl]-2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 529.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.5±3.0 kJ/mol
Flash Point: 274.1±30.1 °C
Index of Refraction: 1.555
Molar Refractivity: 92.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.18
ACD/LogD (pH 5.5): 2.13
ACD/BCF (pH 5.5): 16.64
ACD/KOC (pH 5.5): 166.00
ACD/LogD (pH 7.4): 2.80
ACD/BCF (pH 7.4): 77.41
ACD/KOC (pH 7.4): 772.07
Polar Surface Area: 54 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 40.2±7.0 dyne/cm
Molar Volume: 287.8±7.0 cm3

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