ChemSpider 2D Image | (5-Fluoro-1H-benzimidazol-7-yl){2-[5-(1-methyl-1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-1-azepanyl}methanone | C20H20FN7O2

(5-Fluoro-1H-benzimidazol-7-yl){2-[5-(1-methyl-1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-1-azepanyl}methanone

  • Molecular FormulaC20H20FN7O2
  • Average mass409.417 Da
  • Monoisotopic mass409.166260 Da
  • ChemSpider ID30424888

More details:

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

(5-Fluor-1H-benzimidazol-7-yl){2-[5-(1-methyl-1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-1-azepanyl}methanon [German] [ACD/IUPAC Name]
(5-Fluoro-1H-benzimidazol-7-yl){2-[5-(1-methyl-1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-1-azepanyl}methanone [ACD/IUPAC Name]
(5-Fluoro-1H-benzimidazol-7-yl){2-[5-(1-méthyl-1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-1-azépanyl}méthanone [French] [ACD/IUPAC Name]
Methanone, (6-fluoro-1H-benzimidazol-4-yl)[hexahydro-2-[5-(1-methyl-1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-1H-azepin-1-yl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 742.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.3±3.0 kJ/mol
Flash Point: 402.9±35.7 °C
Index of Refraction: 1.751
Molar Refractivity: 107.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.25
ACD/LogD (pH 5.5): 1.49
ACD/BCF (pH 5.5): 7.81
ACD/KOC (pH 5.5): 148.31
ACD/LogD (pH 7.4): 1.52
ACD/BCF (pH 7.4): 8.42
ACD/KOC (pH 7.4): 159.90
Polar Surface Area: 106 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 62.0±7.0 dyne/cm
Molar Volume: 262.7±7.0 cm3

Click to predict properties on the Chemicalize site


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