ChemSpider 2D Image | (1S,2S)-2-[(5-{(2-Fluoro-2-methylpropyl)[2-fluoro-5-(trifluoromethyl)phenyl]amino}-3-methoxy-2-pyrazinyl)carbonyl]cyclopropanecarboxylic acid | C21H20F5N3O4

(1S,2S)-2-[(5-{(2-Fluoro-2-methylpropyl)[2-fluoro-5-(trifluoromethyl)phenyl]amino}-3-methoxy-2-pyrazinyl)carbonyl]cyclopropanecarboxylic acid

  • Molecular FormulaC21H20F5N3O4
  • Average mass473.393 Da
  • Monoisotopic mass473.137390 Da
  • ChemSpider ID76823050

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,2S)-2-[(5-{(2-Fluor-2-methylpropyl)[2-fluor-5-(trifluormethyl)phenyl]amino}-3-methoxy-2-pyrazinyl)carbonyl]cyclopropancarbonsäure [German] [ACD/IUPAC Name]
(1S,2S)-2-[(5-{(2-Fluoro-2-methylpropyl)[2-fluoro-5-(trifluoromethyl)phenyl]amino}-3-methoxy-2-pyrazinyl)carbonyl]cyclopropanecarboxylic acid [ACD/IUPAC Name]
Acide (1S,2S)-2-[(5-{(2-fluoro-2-méthylpropyl)[2-fluoro-5-(trifluorométhyl)phényl]amino}-3-méthoxy-2-pyrazinyl)carbonyl]cyclopropanecarboxylique [French] [ACD/IUPAC Name]
Cyclopropanecarboxylic acid, 2-[[5-[(2-fluoro-2-methylpropyl)[2-fluoro-5-(trifluoromethyl)phenyl]amino]-3-methoxy-2-pyrazinyl]carbonyl]-, (1S,2S)- [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: 595.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.4±3.0 kJ/mol
Flash Point: 314.2±30.1 °C
Index of Refraction: 1.552
Molar Refractivity: 105.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.68
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 34.35
ACD/KOC (pH 5.5): 121.46
ACD/LogD (pH 7.4): 1.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.48
Polar Surface Area: 93 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 50.6±3.0 dyne/cm
Molar Volume: 330.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement