ChemSpider 2D Image | [5-(Trifluoromethyl)-1H-pyrazol-4-yl]{4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl}methanone | C16H15F6N5O

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

  • Molecular FormulaC16H15F6N5O
  • Average mass407.314 Da
  • Monoisotopic mass407.118073 Da
  • ChemSpider ID30079011

More details:

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

[5-(Trifluormethyl)-1H-pyrazol-4-yl]{4-[5-(trifluormethyl)-2-pyridinyl]-1,4-diazepan-1-yl}methanon [German] [ACD/IUPAC Name]
[5-(Trifluoromethyl)-1H-pyrazol-4-yl]{4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl}methanone [ACD/IUPAC Name]
[5-(Trifluorométhyl)-1H-pyrazol-4-yl]{4-[5-(trifluorométhyl)-2-pyridinyl]-1,4-diazépan-1-yl}méthanone [French] [ACD/IUPAC Name]
Methanone, [hexahydro-4-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,4-diazepin-1-yl][5-(trifluoromethyl)-1H-pyrazol-4-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: 561.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.5±3.0 kJ/mol
Flash Point: 293.7±30.1 °C
Index of Refraction: 1.520
Molar Refractivity: 84.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.71
ACD/LogD (pH 5.5): 2.24
ACD/BCF (pH 5.5): 20.18
ACD/KOC (pH 5.5): 188.09
ACD/LogD (pH 7.4): 2.92
ACD/BCF (pH 7.4): 96.92
ACD/KOC (pH 7.4): 903.20
Polar Surface Area: 65 Å2
Polarizability: 33.6±0.5 10-24cm3
Surface Tension: 44.8±3.0 dyne/cm
Molar Volume: 279.3±3.0 cm3

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