Found 245 results

Search term: MF = 'C_{21}H_{21}FN_{6}O_{3}'
ChemSpider 2D Image | N-Butyl-2-{8-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl}-N-methylacetamide | C21H21FN6O3

N-Butyl-2-{8-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl}-N-methylacetamide

  • Molecular FormulaC21H21FN6O3
  • Average mass424.428 Da
  • Monoisotopic mass424.165924 Da
  • ChemSpider ID26020054

More details:

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

1,2,4-Triazolo[4,3-a]pyridine-2(3H)-acetamide, N-butyl-8-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-3-oxo- [ACD/Index Name]
N-Butyl-2-{8-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl}-N-methylacetamide [ACD/IUPAC Name]
N-Butyl-2-{8-[3-(3-fluorophényl)-1,2,4-oxadiazol-5-yl]-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl}-N-méthylacétamide [French] [ACD/IUPAC Name]
N-Butyl-2-{8-[3-(3-fluorphenyl)-1,2,4-oxadiazol-5-yl]-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl}-N-methylacetamid [German] [ACD/IUPAC Name]
N-Butyl-2-{8-[3-(3-fluoro-phenyl)-[1,2,4]oxadiazol-5-yl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl}-N-methyl-acetamide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 594.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.7±3.0 kJ/mol
Flash Point: 313.6±32.9 °C
Index of Refraction: 1.661
Molar Refractivity: 112.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.68
ACD/LogD (pH 5.5): 2.02
ACD/BCF (pH 5.5): 20.18
ACD/KOC (pH 5.5): 299.04
ACD/LogD (pH 7.4): 2.02
ACD/BCF (pH 7.4): 20.18
ACD/KOC (pH 7.4): 299.04
Polar Surface Area: 95 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 53.0±7.0 dyne/cm
Molar Volume: 305.1±7.0 cm3

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