ChemSpider 2D Image | 4-(2-{[4-Propyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoyl)-7-(trifluoromethyl)-3,4-dihydro-2(1H)-quinoxalinone | C22H21F3N6O2S

4-(2-{[4-Propyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoyl)-7-(trifluoromethyl)-3,4-dihydro-2(1H)-quinoxalinone

  • Molecular FormulaC22H21F3N6O2S
  • Average mass490.501 Da
  • Monoisotopic mass490.139893 Da
  • ChemSpider ID33167672

More details:

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

2(1H)-Quinoxalinone, 3,4-dihydro-4-[1-oxo-2-[[4-propyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]propyl]-7-(trifluoromethyl)- [ACD/Index Name]
4-(2-{[4-Propyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoyl)-7-(trifluormethyl)-3,4-dihydro-2(1H)-chinoxalinon [German] [ACD/IUPAC Name]
4-(2-{[4-Propyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoyl)-7-(trifluoromethyl)-3,4-dihydro-2(1H)-quinoxalinone [ACD/IUPAC Name]
4-(2-{[4-Propyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoyl)-7-(trifluorométhyl)-3,4-dihydro-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: 1.659
Molar Refractivity: 123.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.36
ACD/LogD (pH 5.5): 3.33
ACD/BCF (pH 5.5): 199.36
ACD/KOC (pH 5.5): 1540.55
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 199.38
ACD/KOC (pH 7.4): 1540.69
Polar Surface Area: 118 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 51.1±7.0 dyne/cm
Molar Volume: 334.1±7.0 cm3

Click to predict properties on the Chemicalize site


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