ChemSpider 2D Image | 2-{5-[(4-Fluorophenyl)amino]-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl}-N-(4-methylphenyl)acetamide | C21H19FN6O2

2-{5-[(4-Fluorophenyl)amino]-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl}-N-(4-methylphenyl)acetamide

  • Molecular FormulaC21H19FN6O2
  • Average mass406.413 Da
  • Monoisotopic mass406.155365 Da
  • ChemSpider ID26319889

More details:

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

1,2,4-Triazolo[4,3-c]pyrimidine-2(3H)-acetamide, 5-[(4-fluorophenyl)amino]-7-methyl-N-(4-methylphenyl)-3-oxo- [ACD/Index Name]
2-{5-[(4-Fluorophenyl)amino]-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl}-N-(4-methylphenyl)acetamide [ACD/IUPAC Name]
2-{5-[(4-Fluorophényl)amino]-7-méthyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl}-N-(4-méthylphényl)acétamide [French] [ACD/IUPAC Name]
2-{5-[(4-Fluorphenyl)amino]-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl}-N-(4-methylphenyl)acetamid [German] [ACD/IUPAC Name]
1251594-14-5 [RN]
2-(5-((4-fluorophenyl)amino)-7-methyl-3-oxo-[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)-N-(p-tolyl)acetamide
2-[5-(4-fluoroanilino)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N1-(4-methylphenyl)acetamide
2-{5-[(4-fluorophenyl)amino]-7-methyl-3-oxo-2H,3H-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl}-N-(4-methylphenyl)acetamide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4527381/

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: 1.679
Molar Refractivity: 110.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.19
ACD/LogD (pH 5.5): 2.40
ACD/BCF (pH 5.5): 39.53
ACD/KOC (pH 5.5): 483.82
ACD/LogD (pH 7.4): 2.40
ACD/BCF (pH 7.4): 39.53
ACD/KOC (pH 7.4): 483.84
Polar Surface Area: 89 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 53.1±7.0 dyne/cm
Molar Volume: 292.5±7.0 cm3

Click to predict properties on the Chemicalize site


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