ChemSpider 2D Image | [3-(4-Fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-methoxy-3-(1-pyrrolidinylsulfonyl)benzoate | C21H20FN3O6S

[3-(4-Fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-methoxy-3-(1-pyrrolidinylsulfonyl)benzoate

  • Molecular FormulaC21H20FN3O6S
  • Average mass461.463 Da
  • Monoisotopic mass461.105682 Da
  • ChemSpider ID22422089

More details:

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

[3-(4-Fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-methoxy-3-(1-pyrrolidinylsulfonyl)benzoate [ACD/IUPAC Name]
[3-(4-Fluorphenyl)-1,2,4-oxadiazol-5-yl]methyl-4-methoxy-3-(1-pyrrolidinylsulfonyl)benzoat [German] [ACD/IUPAC Name]
4-Méthoxy-3-(1-pyrrolidinylsulfonyl)benzoate de [3-(4-fluorophényl)-1,2,4-oxadiazol-5-yl]méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-methoxy-3-(1-pyrrolidinylsulfonyl)-, [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 661.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.3±3.0 kJ/mol
Flash Point: 353.8±34.3 °C
Index of Refraction: 1.591
Molar Refractivity: 111.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.66
ACD/LogD (pH 5.5): 3.19
ACD/BCF (pH 5.5): 157.25
ACD/KOC (pH 5.5): 1299.95
ACD/LogD (pH 7.4): 3.19
ACD/BCF (pH 7.4): 157.25
ACD/KOC (pH 7.4): 1299.95
Polar Surface Area: 120 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 57.0±3.0 dyne/cm
Molar Volume: 328.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement