ChemSpider 2D Image | N-(6-Fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-[3-oxo-4-(2-phenylethyl)-3,4-dihydro-2-quinoxalinyl]propanamide | C28H26FN3O2S

N-(6-Fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-[3-oxo-4-(2-phenylethyl)-3,4-dihydro-2-quinoxalinyl]propanamide

  • Molecular FormulaC28H26FN3O2S
  • Average mass487.588 Da
  • Monoisotopic mass487.172974 Da
  • ChemSpider ID21647243

More details:

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

2-Quinoxalinepropanamide, N-(6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-3,4-dihydro-3-oxo-4-(2-phenylethyl)- [ACD/Index Name]
N-(6-Fluor-3,4-dihydro-2H-thiochromen-4-yl)-3-[3-oxo-4-(2-phenylethyl)-3,4-dihydro-2-chinoxalinyl]propanamid [German] [ACD/IUPAC Name]
N-(6-Fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-[3-oxo-4-(2-phenylethyl)-3,4-dihydro-2-quinoxalinyl]propanamide [ACD/IUPAC Name]
N-(6-Fluoro-3,4-dihydro-2H-thiochromén-4-yl)-3-[3-oxo-4-(2-phényléthyl)-3,4-dihydro-2-quinoxalinyl]propanamide [French] [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.665
Molar Refractivity: 138.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.89
ACD/LogD (pH 5.5): 5.04
ACD/BCF (pH 5.5): 3957.49
ACD/KOC (pH 5.5): 13080.57
ACD/LogD (pH 7.4): 5.04
ACD/BCF (pH 7.4): 3957.50
ACD/KOC (pH 7.4): 13080.62
Polar Surface Area: 87 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 51.2±7.0 dyne/cm
Molar Volume: 372.4±7.0 cm3

Click to predict properties on the Chemicalize site


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