ChemSpider 2D Image | Ethyl 3-{[5-fluoro-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)phenyl]carbamoyl}-5-nitrobenzoate | C21H22FN3O7

Ethyl 3-{[5-fluoro-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)phenyl]carbamoyl}-5-nitrobenzoate

  • Molecular FormulaC21H22FN3O7
  • Average mass447.414 Da
  • Monoisotopic mass447.144165 Da
  • ChemSpider ID33857574

More details:

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

3-{[5-Fluoro-2-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)phényl]carbamoyl}-5-nitrobenzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[[2-[[(1,1-dimethylethoxy)carbonyl]amino]-5-fluorophenyl]amino]carbonyl]-5-nitro-, ethyl ester [ACD/Index Name]
Ethyl 3-{[5-fluoro-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)phenyl]carbamoyl}-5-nitrobenzoate [ACD/IUPAC Name]
Ethyl-3-{[5-fluor-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)phenyl]carbamoyl}-5-nitrobenzoat [German] [ACD/IUPAC 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: 486.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.2±3.0 kJ/mol
Flash Point: 247.9±28.7 °C
Index of Refraction: 1.610
Molar Refractivity: 113.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.95
ACD/LogD (pH 5.5): 4.51
ACD/BCF (pH 5.5): 1566.90
ACD/KOC (pH 5.5): 6739.15
ACD/LogD (pH 7.4): 4.51
ACD/BCF (pH 7.4): 1566.71
ACD/KOC (pH 7.4): 6738.36
Polar Surface Area: 140 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 54.8±3.0 dyne/cm
Molar Volume: 327.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement