ChemSpider 2D Image | 2-(3-Fluoro-4-methoxybenzyl)-6-(4-morpholinylsulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one | C18H19FN4O5S

2-(3-Fluoro-4-methoxybenzyl)-6-(4-morpholinylsulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one

  • Molecular FormulaC18H19FN4O5S
  • Average mass422.431 Da
  • Monoisotopic mass422.106018 Da
  • ChemSpider ID26318981

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]-6-(4-morpholinylsulfonyl)- [ACD/Index Name]
2-(3-Fluor-4-methoxybenzyl)-6-(4-morpholinylsulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-on [German] [ACD/IUPAC Name]
2-(3-Fluoro-4-methoxybenzyl)-6-(4-morpholinylsulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one [ACD/IUPAC Name]
2-(3-Fluoro-4-méthoxybenzyl)-6-(4-morpholinylsulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one [French] [ACD/IUPAC Name]
1251632-79-7 [RN]
2-(3-fluoro-4-methoxybenzyl)-6-(morpholin-4-ylsulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
2-(3-fluoro-4-methoxybenzyl)-6-(morpholinosulfonyl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
2-[(3-fluoro-4-methoxyphenyl)methyl]-6-morpholin-4-ylsulfonyl-[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: 555.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.7±3.0 kJ/mol
Flash Point: 289.8±32.9 °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): -0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 19.54
ACD/LogD (pH 7.4): -0.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 19.54
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


Advertisement