ChemSpider 2D Image | 3-{3-[4-(Benzyloxy)-3-methoxyphenyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}-N-[3-(trifluoromethyl)benzyl]propanamide | C28H25F3N4O4

3-{3-[4-(Benzyloxy)-3-methoxyphenyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}-N-[3-(trifluoromethyl)benzyl]propanamide

  • Molecular FormulaC28H25F3N4O4
  • Average mass538.518 Da
  • Monoisotopic mass538.182800 Da
  • ChemSpider ID22727240

More details:

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

1,2,4-Triazine-6-propanamide, 2,5-dihydro-3-[3-methoxy-4-(phenylmethoxy)phenyl]-5-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]- [ACD/Index Name]
3-{3-[4-(Benzyloxy)-3-methoxyphenyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}-N-[3-(trifluormethyl)benzyl]propanamid [German] [ACD/IUPAC Name]
3-{3-[4-(Benzyloxy)-3-methoxyphenyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}-N-[3-(trifluoromethyl)benzyl]propanamide [ACD/IUPAC Name]
3-{3-[4-(Benzyloxy)-3-méthoxyphényl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}-N-[3-(trifluorométhyl)benzyl]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: 1.592
Molar Refractivity: 138.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 2.63
ACD/LogD (pH 5.5): 4.09
ACD/BCF (pH 5.5): 752.40
ACD/KOC (pH 5.5): 3978.71
ACD/LogD (pH 7.4): 3.92
ACD/BCF (pH 7.4): 516.39
ACD/KOC (pH 7.4): 2730.66
Polar Surface Area: 101 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 44.3±7.0 dyne/cm
Molar Volume: 408.1±7.0 cm3

Click to predict properties on the Chemicalize site


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