ChemSpider 2D Image | Ethyl (2R)-4-{1-[3,5-bis(trifluoromethyl)phenyl]-2-methoxy-2-oxoethyl}-2-ethyl-6,7-dimethyl-3,4-dihydro-1(2H)-quinoxalinecarboxylate | C26H28F6N2O4

Ethyl (2R)-4-{1-[3,5-bis(trifluoromethyl)phenyl]-2-methoxy-2-oxoethyl}-2-ethyl-6,7-dimethyl-3,4-dihydro-1(2H)-quinoxalinecarboxylate

  • Molecular FormulaC26H28F6N2O4
  • Average mass546.502 Da
  • Monoisotopic mass546.195313 Da
  • ChemSpider ID74161988

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(2R)-4-{1-[3,5-Bis(trifluorométhyl)phényl]-2-méthoxy-2-oxoéthyl}-2-éthyl-6,7-diméthyl-3,4-dihydro-1(2H)-quinoxalinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
1(2H)-Quinoxalineacetic acid, α-[3,5-bis(trifluoromethyl)phenyl]-4-(ethoxycarbonyl)-3-ethyl-3,4-dihydro-6,7-dimethyl-, methyl ester, (3R)- [ACD/Index Name]
Ethyl (2R)-4-{1-[3,5-bis(trifluoromethyl)phenyl]-2-methoxy-2-oxoethyl}-2-ethyl-6,7-dimethyl-3,4-dihydro-1(2H)-quinoxalinecarboxylate [ACD/IUPAC Name]
Ethyl-(2R)-4-{1-[3,5-bis(trifluormethyl)phenyl]-2-methoxy-2-oxoethyl}-2-ethyl-6,7-dimethyl-3,4-dihydro-1(2H)-chinoxalincarboxylat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 550.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.1±3.0 kJ/mol
Flash Point: 286.8±30.1 °C
Index of Refraction: 1.503
Molar Refractivity: 125.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.42
ACD/LogD (pH 5.5): 6.90
ACD/BCF (pH 5.5): 102096.82
ACD/KOC (pH 5.5): 133278.38
ACD/LogD (pH 7.4): 6.90
ACD/BCF (pH 7.4): 103967.52
ACD/KOC (pH 7.4): 135720.41
Polar Surface Area: 59 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 36.8±3.0 dyne/cm
Molar Volume: 425.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement