ChemSpider 2D Image | 1-(1-Azepanyl)-3-{5-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-1H-benzimidazol-1-yl}-1-propanone | C24H23F2N5O2

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

  • Molecular FormulaC24H23F2N5O2
  • Average mass451.469 Da
  • Monoisotopic mass451.181976 Da
  • ChemSpider ID29116282

More details:

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

1-(1-Azepanyl)-3-{5-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-1H-benzimidazol-1-yl}-1-propanone [ACD/IUPAC Name]
1-(1-Azépanyl)-3-{5-[5-(3,4-difluorophényl)-1,2,4-oxadiazol-3-yl]-1H-benzimidazol-1-yl}-1-propanone [French] [ACD/IUPAC Name]
1-(1-Azepanyl)-3-{5-[5-(3,4-difluorphenyl)-1,2,4-oxadiazol-3-yl]-1H-benzimidazol-1-yl}-1-propanon [German] [ACD/IUPAC Name]
1-Propanone, 3-[5-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-1H-benzimidazol-1-yl]-1-(hexahydro-1H-azepin-1-yl)- [ACD/Index Name]
1-(1-azepanyl)-3-{5-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-1H-1,3-benzimidazol-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: 669.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.4±3.0 kJ/mol
Flash Point: 358.7±34.3 °C
Index of Refraction: 1.666
Molar Refractivity: 119.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.14
ACD/LogD (pH 5.5): 3.97
ACD/BCF (pH 5.5): 609.49
ACD/KOC (pH 5.5): 3424.81
ACD/LogD (pH 7.4): 3.97
ACD/BCF (pH 7.4): 611.67
ACD/KOC (pH 7.4): 3437.07
Polar Surface Area: 77 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 51.3±7.0 dyne/cm
Molar Volume: 321.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement