ChemSpider 2D Image | 5-[5-(1-Azepanylcarbonyl)-1,2,4-oxadiazol-3-yl]-N-(4-fluorophenyl)-2-methylbenzenesulfonamide | C22H23FN4O4S

5-[5-(1-Azepanylcarbonyl)-1,2,4-oxadiazol-3-yl]-N-(4-fluorophenyl)-2-methylbenzenesulfonamide

  • Molecular FormulaC22H23FN4O4S
  • Average mass458.506 Da
  • Monoisotopic mass458.142395 Da
  • ChemSpider ID29170404

More details:

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

5-[5-(1-Azepanylcarbonyl)-1,2,4-oxadiazol-3-yl]-N-(4-fluorophenyl)-2-methylbenzenesulfonamide [ACD/IUPAC Name]
5-[5-(1-Azépanylcarbonyl)-1,2,4-oxadiazol-3-yl]-N-(4-fluorophényl)-2-méthylbenzènesulfonamide [French] [ACD/IUPAC Name]
5-[5-(1-Azepanylcarbonyl)-1,2,4-oxadiazol-3-yl]-N-(4-fluorphenyl)-2-methylbenzolsulfonamid [German] [ACD/IUPAC Name]
Benzenesulfonamide, N-(4-fluorophenyl)-5-[5-[(hexahydro-1H-azepin-1-yl)carbonyl]-1,2,4-oxadiazol-3-yl]-2-methyl- [ACD/Index Name]
5-[5-(azepan-1-ylcarbonyl)-1,2,4-oxadiazol-3-yl]-N-(4-fluorophenyl)-2-methylbenzenesulfonamide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 631.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.4±3.0 kJ/mol
Flash Point: 335.6±34.3 °C
Index of Refraction: 1.605
Molar Refractivity: 115.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.36
ACD/LogD (pH 5.5): 3.19
ACD/BCF (pH 5.5): 154.94
ACD/KOC (pH 5.5): 1283.20
ACD/LogD (pH 7.4): 2.97
ACD/BCF (pH 7.4): 93.96
ACD/KOC (pH 7.4): 778.19
Polar Surface Area: 114 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 58.4±3.0 dyne/cm
Molar Volume: 336.4±3.0 cm3

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