ChemSpider 2D Image | 3-Amino-5-[(2-{[(1S)-1-(3-pyridinyl)ethyl]amino}-6-[4-(trifluoromethyl)phenyl]-4-pyrimidinyl)oxy]-2(1H)-quinoxalinone | C26H20F3N7O2

3-Amino-5-[(2-{[(1S)-1-(3-pyridinyl)ethyl]amino}-6-[4-(trifluoromethyl)phenyl]-4-pyrimidinyl)oxy]-2(1H)-quinoxalinone

  • Molecular FormulaC26H20F3N7O2
  • Average mass519.478 Da
  • Monoisotopic mass519.163086 Da
  • ChemSpider ID9686726

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2(1H)-Quinoxalinone, 3-amino-5-[[2-[[(1S)-1-(3-pyridinyl)ethyl]amino]-6-[4-(trifluoromethyl)phenyl]-4-pyrimidinyl]oxy]- [ACD/Index Name]
3-Amino-5-[(2-{[(1S)-1-(3-pyridinyl)ethyl]amino}-6-[4-(trifluormethyl)phenyl]-4-pyrimidinyl)oxy]-2(1H)-chinoxalinon [German] [ACD/IUPAC Name]
3-Amino-5-[(2-{[(1S)-1-(3-pyridinyl)ethyl]amino}-6-[4-(trifluoromethyl)phenyl]-4-pyrimidinyl)oxy]-2(1H)-quinoxalinone [ACD/IUPAC Name]
3-Amino-5-[(2-{[(1S)-1-(3-pyridinyl)éthyl]amino}-6-[4-(trifluorométhyl)phényl]-4-pyrimidinyl)oxy]-2(1H)-quinoxalinone [French] [ACD/IUPAC 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.679
Molar Refractivity: 132.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.55
ACD/LogD (pH 5.5): 3.70
ACD/BCF (pH 5.5): 372.52
ACD/KOC (pH 5.5): 2323.15
ACD/LogD (pH 7.4): 3.74
ACD/BCF (pH 7.4): 402.13
ACD/KOC (pH 7.4): 2507.81
Polar Surface Area: 127 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 52.7±7.0 dyne/cm
Molar Volume: 349.9±7.0 cm3

Click to predict properties on the Chemicalize site


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