ChemSpider 2D Image | (5-Ethoxy-2-fluoro-4-{[4-(methylamino)-5-(trifluoromethyl)-2-pyrimidinyl]amino}phenyl)(4-morpholinyl)methanone | C19H21F4N5O3

(5-Ethoxy-2-fluoro-4-{[4-(methylamino)-5-(trifluoromethyl)-2-pyrimidinyl]amino}phenyl)(4-morpholinyl)methanone

  • Molecular FormulaC19H21F4N5O3
  • Average mass443.395 Da
  • Monoisotopic mass443.158051 Da
  • ChemSpider ID58954081

More details:

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

(5-Ethoxy-2-fluor-4-{[4-(methylamino)-5-(trifluormethyl)-2-pyrimidinyl]amino}phenyl)(4-morpholinyl)methanon [German] [ACD/IUPAC Name]
(5-Ethoxy-2-fluoro-4-{[4-(methylamino)-5-(trifluoromethyl)-2-pyrimidinyl]amino}phenyl)(4-morpholinyl)methanone [ACD/IUPAC Name]
(5-Éthoxy-2-fluoro-4-{[4-(méthylamino)-5-(trifluorométhyl)-2-pyrimidinyl]amino}phényl)(4-morpholinyl)méthanone [French] [ACD/IUPAC Name]
Methanone, [5-ethoxy-2-fluoro-4-[[4-(methylamino)-5-(trifluoromethyl)-2-pyrimidinyl]amino]phenyl]-4-morpholinyl- [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: 629.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.2±3.0 kJ/mol
Flash Point: 334.7±34.3 °C
Index of Refraction: 1.578
Molar Refractivity: 104.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.81
ACD/LogD (pH 5.5): 2.88
ACD/BCF (pH 5.5): 90.88
ACD/KOC (pH 5.5): 872.12
ACD/LogD (pH 7.4): 2.89
ACD/BCF (pH 7.4): 93.00
ACD/KOC (pH 7.4): 892.54
Polar Surface Area: 89 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 53.1±3.0 dyne/cm
Molar Volume: 315.7±3.0 cm3

Click to predict properties on the Chemicalize site


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