ChemSpider 2D Image | PD 334581 | C20H19F3IN5O2

PD 334581

  • Molecular FormulaC20H19F3IN5O2
  • Average mass545.297 Da
  • Monoisotopic mass545.053528 Da
  • ChemSpider ID4449889

More details:

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

4-Morpholineethanamine, N-[5-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl]-1,3,4-oxadiazol-2-yl]- [ACD/Index Name]
5-{3,4-Difluor-2-[(2-fluor-4-iodphenyl)amino]phenyl}-N-[2-(4-morpholinyl)ethyl]-1,3,4-oxadiazol-2-amin [German] [ACD/IUPAC Name]
5-{3,4-DIFLUORO-2-[(2-FLUORO-4-IODOPHENYL)AMINO]PHENYL}-N-(2-MORPHOLIN-4-YLETHYL)-1,3,4-OXADIAZOL-2-AMINE
5-{3,4-Difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}-N-[2-(4-morpholinyl)ethyl]-1,3,4-oxadiazol-2-amine [ACD/IUPAC Name]
5-{3,4-Difluoro-2-[(2-fluoro-4-iodophényl)amino]phényl}-N-[2-(4-morpholinyl)éthyl]-1,3,4-oxadiazol-2-amine [French] [ACD/IUPAC Name]
548756-68-9 [RN]
PD 334581
[548756-68-9] [RN]
5-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-N-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine
5EA
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Enzymes Tocris Bioscience 4824
      Inhibitor of MEK1. Analog of PD 184352 (Cat. No. 4237). Tocris Bioscience 4824
      Kinases Tocris Bioscience 4824
      MEK Tocris Bioscience 4824
      MEK1 inhibitor Tocris Bioscience 4824

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

Density: 1.7±0.1 g/cm3
Boiling Point: 536.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.3±3.0 kJ/mol
Flash Point: 278.3±32.9 °C
Index of Refraction: 1.642
Molar Refractivity: 117.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 7.07
ACD/LogD (pH 5.5): 4.11
ACD/BCF (pH 5.5): 428.43
ACD/KOC (pH 5.5): 1291.96
ACD/LogD (pH 7.4): 5.16
ACD/BCF (pH 7.4): 4754.56
ACD/KOC (pH 7.4): 14337.88
Polar Surface Area: 75 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 59.7±3.0 dyne/cm
Molar Volume: 325.2±3.0 cm3

Click to predict properties on the Chemicalize site


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