ChemSpider 2D Image | (2S)-1-Methoxy-2-propanyl 2-amino-1-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate | C22H19F3N4O3

(2S)-1-Methoxy-2-propanyl 2-amino-1-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate

  • Molecular FormulaC22H19F3N4O3
  • Average mass444.406 Da
  • Monoisotopic mass444.140930 Da
  • ChemSpider ID62669262

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-1-Methoxy-2-propanyl 2-amino-1-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate [ACD/IUPAC Name]
(2S)-1-Methoxy-2-propanyl-2-amino-1-[3-(trifluormethyl)phenyl]-1H-pyrrolo[2,3-b]chinoxalin-3-carboxylat [German] [ACD/IUPAC Name]
1H-Pyrrolo[2,3-b]quinoxaline-3-carboxylic acid, 2-amino-1-[3-(trifluoromethyl)phenyl]-, (1S)-2-methoxy-1-methylethyl ester [ACD/Index Name]
2-Amino-1-[3-(trifluorométhyl)phényl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate de (2S)-1-méthoxy-2-propanyle [French] [ACD/IUPAC 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: 510.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.1±3.0 kJ/mol
Flash Point: 262.5±30.1 °C
Index of Refraction: 1.617
Molar Refractivity: 109.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.85
ACD/LogD (pH 5.5): 4.43
ACD/BCF (pH 5.5): 1375.01
ACD/KOC (pH 5.5): 6136.96
ACD/LogD (pH 7.4): 4.43
ACD/BCF (pH 7.4): 1375.50
ACD/KOC (pH 7.4): 6139.14
Polar Surface Area: 92 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 45.4±7.0 dyne/cm
Molar Volume: 312.0±7.0 cm3

Click to predict properties on the Chemicalize site


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