ChemSpider 2D Image | 1-[(3-Fluoro-4-methoxybenzyl)oxy]-6-(4-morpholinylsulfonyl)-1H-benzotriazole | C18H19FN4O5S

1-[(3-Fluoro-4-methoxybenzyl)oxy]-6-(4-morpholinylsulfonyl)-1H-benzotriazole

  • Molecular FormulaC18H19FN4O5S
  • Average mass422.431 Da
  • Monoisotopic mass422.106018 Da
  • ChemSpider ID22020248

More details:

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

1-[(3-Fluor-4-methoxybenzyl)oxy]-6-(4-morpholinylsulfonyl)-1H-benzotriazol [German] [ACD/IUPAC Name]
1-[(3-Fluoro-4-methoxybenzyl)oxy]-6-(4-morpholinylsulfonyl)-1H-benzotriazole [ACD/IUPAC Name]
1-[(3-Fluoro-4-méthoxybenzyl)oxy]-6-(4-morpholinylsulfonyl)-1H-benzotriazole [French] [ACD/IUPAC Name]
1H-1,2,3-Benzotriazole, 1-[(3-fluoro-4-methoxyphenyl)methoxy]-6-(4-morpholinylsulfonyl)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 619.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.8±3.0 kJ/mol
Flash Point: 328.5±34.3 °C
Index of Refraction: 1.654
Molar Refractivity: 102.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.29
ACD/LogD (pH 5.5): 1.83
ACD/BCF (pH 5.5): 14.44
ACD/KOC (pH 5.5): 235.31
ACD/LogD (pH 7.4): 1.83
ACD/BCF (pH 7.4): 14.44
ACD/KOC (pH 7.4): 235.31
Polar Surface Area: 104 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 56.2±7.0 dyne/cm
Molar Volume: 281.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement