ChemSpider 2D Image | 2-{[2-(4-Morpholinyl)-5-(trifluoromethyl)phenyl]amino}-2-oxoethyl [(4,6-dimethyl-2-pyrimidinyl)sulfanyl]acetate | C21H23F3N4O4S

2-{[2-(4-Morpholinyl)-5-(trifluoromethyl)phenyl]amino}-2-oxoethyl [(4,6-dimethyl-2-pyrimidinyl)sulfanyl]acetate

  • Molecular FormulaC21H23F3N4O4S
  • Average mass484.492 Da
  • Monoisotopic mass484.139221 Da
  • ChemSpider ID27428895

More details:

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

[(4,6-Diméthyl-2-pyrimidinyl)sulfanyl]acétate de 2-{[2-(4-morpholinyl)-5-(trifluorométhyl)phényl]amino}-2-oxoéthyle [French] [ACD/IUPAC Name]
2-{[2-(4-Morpholinyl)-5-(trifluormethyl)phenyl]amino}-2-oxoethyl-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]acetat [German] [ACD/IUPAC Name]
2-{[2-(4-Morpholinyl)-5-(trifluoromethyl)phenyl]amino}-2-oxoethyl [(4,6-dimethyl-2-pyrimidinyl)sulfanyl]acetate [ACD/IUPAC Name]
Acetic acid, 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-, 2-[[2-(4-morpholinyl)-5-(trifluoromethyl)phenyl]amino]-2-oxoethyl 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: 655.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.5±3.0 kJ/mol
Flash Point: 349.9±31.5 °C
Index of Refraction: 1.587
Molar Refractivity: 115.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.28
ACD/LogD (pH 5.5): 3.82
ACD/BCF (pH 5.5): 470.25
ACD/KOC (pH 5.5): 2843.20
ACD/LogD (pH 7.4): 3.82
ACD/BCF (pH 7.4): 472.67
ACD/KOC (pH 7.4): 2857.87
Polar Surface Area: 119 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 59.5±5.0 dyne/cm
Molar Volume: 343.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement