ChemSpider 2D Image | (2R)-2-{[(2Z)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)-2-buten-2-yl]amino}-2-phenylacetamide | C24H20F6N6O2

(2R)-2-{[(2Z)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)-2-buten-2-yl]amino}-2-phenylacetamide

  • Molecular FormulaC24H20F6N6O2
  • Average mass538.445 Da
  • Monoisotopic mass538.155212 Da
  • ChemSpider ID114392370

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-{[(2Z)-4-Oxo-4-[3-(trifluormethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorphenyl)-2-buten-2-yl]amino}-2-phenylacetamid [German] [ACD/IUPAC Name]
(2R)-2-{[(2Z)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)-2-buten-2-yl]amino}-2-phenylacetamide [ACD/IUPAC Name]
(2R)-2-{[(2Z)-4-Oxo-4-[3-(trifluorométhyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophényl)-2-butén-2-yl]amino}-2-phénylacétamide [French] [ACD/IUPAC Name]
Benzeneacetamide, α-[[(1Z)-3-[5,6-dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-3-oxo-1-[(2,4,5-trifluorophenyl)methyl]-1-propen-1-yl]amino]-, (αR)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 737.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.5±3.0 kJ/mol
Flash Point: 399.5±35.7 °C
Index of Refraction: 1.614
Molar Refractivity: 123.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.86
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 19.29
ACD/KOC (pH 5.5): 289.53
ACD/LogD (pH 7.4): 1.99
ACD/BCF (pH 7.4): 19.29
ACD/KOC (pH 7.4): 289.54
Polar Surface Area: 106 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 46.3±7.0 dyne/cm
Molar Volume: 354.1±7.0 cm3

Click to predict properties on the Chemicalize site


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