ChemSpider 2D Image | 3-[4-(4-Methylbenzyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]-N-{2-[3-(trifluoromethyl)phenoxy]ethyl}propanamide | C29H26F3N5O3

3-[4-(4-Methylbenzyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]-N-{2-[3-(trifluoromethyl)phenoxy]ethyl}propanamide

  • Molecular FormulaC29H26F3N5O3
  • Average mass549.544 Da
  • Monoisotopic mass549.198792 Da
  • ChemSpider ID20284542

More details:

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

[1,2,4]Triazolo[4,3-a]quinazoline-1-propanamide, 4,5-dihydro-4-[(4-methylphenyl)methyl]-5-oxo-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]- [ACD/Index Name]
3-[4-(4-Methylbenzyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]chinazolin-1-yl]-N-{2-[3-(trifluormethyl)phenoxy]ethyl}propanamid [German] [ACD/IUPAC Name]
3-[4-(4-Methylbenzyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]-N-{2-[3-(trifluoromethyl)phenoxy]ethyl}propanamide [ACD/IUPAC Name]
3-[4-(4-Méthylbenzyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]-N-{2-[3-(trifluorométhyl)phénoxy]éthyl}propanamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.625
Molar Refractivity: 143.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.57
ACD/LogD (pH 5.5): 4.79
ACD/BCF (pH 5.5): 2572.54
ACD/KOC (pH 5.5): 9608.48
ACD/LogD (pH 7.4): 4.79
ACD/BCF (pH 7.4): 2574.14
ACD/KOC (pH 7.4): 9614.46
Polar Surface Area: 89 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 47.5±7.0 dyne/cm
Molar Volume: 406.0±7.0 cm3

Click to predict properties on the Chemicalize site


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