ChemSpider 2D Image | 1-(1-Azepanyl)-3-{5-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1H-benzotriazol-1-yl}-1-propanone | C23H23ClN6O2

1-(1-Azepanyl)-3-{5-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1H-benzotriazol-1-yl}-1-propanone

  • Molecular FormulaC23H23ClN6O2
  • Average mass450.921 Da
  • Monoisotopic mass450.157104 Da
  • ChemSpider ID29116508

More details:

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

1-(1-Azepanyl)-3-{5-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1H-benzotriazol-1-yl}-1-propanone [ACD/IUPAC Name]
1-(1-Azépanyl)-3-{5-[5-(4-chlorophényl)-1,2,4-oxadiazol-3-yl]-1H-benzotriazol-1-yl}-1-propanone [French] [ACD/IUPAC Name]
1-(1-Azepanyl)-3-{5-[5-(4-chlorphenyl)-1,2,4-oxadiazol-3-yl]-1H-benzotriazol-1-yl}-1-propanon [German] [ACD/IUPAC Name]
1-Propanone, 3-[5-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1H-1,2,3-benzotriazol-1-yl]-1-(hexahydro-1H-azepin-1-yl)- [ACD/Index Name]
1-(1-azepanyl)-3-{5-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1H-1,2,3-benzotriazol-1-yl}-1-propanone

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

Density: 1.4±0.1 g/cm3
Boiling Point: 695.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.9±3.0 kJ/mol
Flash Point: 374.4±34.3 °C
Index of Refraction: 1.712
Molar Refractivity: 122.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.77
ACD/LogD (pH 5.5): 4.47
ACD/BCF (pH 5.5): 1464.99
ACD/KOC (pH 5.5): 6422.47
ACD/LogD (pH 7.4): 4.47
ACD/BCF (pH 7.4): 1464.99
ACD/KOC (pH 7.4): 6422.48
Polar Surface Area: 90 Å2
Polarizability: 48.7±0.5 10-24cm3
Surface Tension: 59.2±7.0 dyne/cm
Molar Volume: 313.5±7.0 cm3

Click to predict properties on the Chemicalize site


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