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

(4-{[4-(Ethylamino)-5-(trifluoromethyl)-2-pyrimidinyl]amino}-5-fluoro-2-methoxyphenyl)(4-morpholinyl)methanone

  • Molecular FormulaC19H21F4N5O3
  • Average mass443.395 Da
  • Monoisotopic mass443.158051 Da
  • ChemSpider ID58950010

More details:

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

(4-{[4-(Ethylamino)-5-(trifluormethyl)-2-pyrimidinyl]amino}-5-fluor-2-methoxyphenyl)(4-morpholinyl)methanon [German] [ACD/IUPAC Name]
(4-{[4-(Ethylamino)-5-(trifluoromethyl)-2-pyrimidinyl]amino}-5-fluoro-2-methoxyphenyl)(4-morpholinyl)methanone [ACD/IUPAC Name]
(4-{[4-(Éthylamino)-5-(trifluorométhyl)-2-pyrimidinyl]amino}-5-fluoro-2-méthoxyphényl)(4-morpholinyl)méthanone [French] [ACD/IUPAC Name]
Methanone, [4-[[4-(ethylamino)-5-(trifluoromethyl)-2-pyrimidinyl]amino]-5-fluoro-2-methoxyphenyl]-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: 1.99
ACD/LogD (pH 5.5): 2.35
ACD/BCF (pH 5.5): 35.99
ACD/KOC (pH 5.5): 450.85
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 36.42
ACD/KOC (pH 7.4): 456.25
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

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