ChemSpider 2D Image | 2-(3-Fluoro-4-methoxybenzyl)-8-(4-morpholinylsulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one | C18H19FN4O5S

2-(3-Fluoro-4-methoxybenzyl)-8-(4-morpholinylsulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one

  • Molecular FormulaC18H19FN4O5S
  • Average mass422.431 Da
  • Monoisotopic mass422.106018 Da
  • ChemSpider ID26315101

More details:

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

1,2,4-Triazolo[4,3-a]pyridin-3(2H)-one, 2-[(3-fluoro-4-methoxyphenyl)methyl]-8-(4-morpholinylsulfonyl)- [ACD/Index Name]
2-(3-Fluor-4-methoxybenzyl)-8-(4-morpholinylsulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-on [German] [ACD/IUPAC Name]
2-(3-Fluoro-4-methoxybenzyl)-8-(4-morpholinylsulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one [ACD/IUPAC Name]
2-(3-Fluoro-4-méthoxybenzyl)-8-(4-morpholinylsulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one [French] [ACD/IUPAC Name]
1251602-86-4 [RN]
2-(3-fluoro-4-methoxybenzyl)-8-(morpholinosulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
2-(3-fluoro-4-methoxybenzyl)-8-(morpholinosulfonyl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
2-[(3-fluoro-4-methoxyphenyl)methyl]-8-(morpholine-4-sulfonyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one

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

Density: 1.5±0.1 g/cm3
Boiling Point: 600.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.4±3.0 kJ/mol
Flash Point: 317.1±34.3 °C
Index of Refraction: 1.666
Molar Refractivity: 103.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -1.38
ACD/LogD (pH 5.5): -0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 17.45
ACD/LogD (pH 7.4): -0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 17.45
Polar Surface Area: 100 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 59.0±7.0 dyne/cm
Molar Volume: 277.8±7.0 cm3

Click to predict properties on the Chemicalize site


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