ChemSpider 2D Image | (5-Bromo-3-pyridinyl){4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl}methanone | C17H16BrF3N4O

(5-Bromo-3-pyridinyl){4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl}methanone

  • Molecular FormulaC17H16BrF3N4O
  • Average mass429.234 Da
  • Monoisotopic mass428.045959 Da
  • ChemSpider ID30576799

More details:

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

(5-Brom-3-pyridinyl){4-[5-(trifluormethyl)-2-pyridinyl]-1,4-diazepan-1-yl}methanon [German] [ACD/IUPAC Name]
(5-Bromo-3-pyridinyl){4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl}methanone [ACD/IUPAC Name]
(5-Bromo-3-pyridinyl){4-[5-(trifluorométhyl)-2-pyridinyl]-1,4-diazépan-1-yl}méthanone [French] [ACD/IUPAC Name]
Methanone, (5-bromo-3-pyridinyl)[hexahydro-4-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,4-diazepin-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: 547.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.6±3.0 kJ/mol
Flash Point: 284.7±30.1 °C
Index of Refraction: 1.571
Molar Refractivity: 93.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.88
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 16.25
ACD/KOC (pH 5.5): 161.07
ACD/LogD (pH 7.4): 2.81
ACD/BCF (pH 7.4): 78.96
ACD/KOC (pH 7.4): 782.46
Polar Surface Area: 49 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 49.0±3.0 dyne/cm
Molar Volume: 283.7±3.0 cm3

Click to predict properties on the Chemicalize site


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