ChemSpider 2D Image | N-(2-Chloro-4-fluorophenyl)-2-{7-methyl-5-[(2-methylphenyl)amino]-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl}acetamide | C21H18ClFN6O2

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

  • Molecular FormulaC21H18ClFN6O2
  • Average mass440.858 Da
  • Monoisotopic mass440.116394 Da
  • ChemSpider ID26319887

More details:

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

1,2,4-Triazolo[4,3-c]pyrimidine-2(3H)-acetamide, N-(2-chloro-4-fluorophenyl)-7-methyl-5-[(2-methylphenyl)amino]-3-oxo- [ACD/Index Name]
N-(2-Chlor-4-fluorphenyl)-2-{7-methyl-5-[(2-methylphenyl)amino]-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl}acetamid [German] [ACD/IUPAC Name]
N-(2-Chloro-4-fluorophenyl)-2-{7-methyl-5-[(2-methylphenyl)amino]-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl}acetamide [ACD/IUPAC Name]
N-(2-Chloro-4-fluorophényl)-2-{7-méthyl-5-[(2-méthylphényl)amino]-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl}acétamide [French] [ACD/IUPAC Name]
1251553-13-5 [RN]
MFCD22596510
N-(2-chloro-4-fluorophenyl)-2-(7-methyl-3-oxo-5-(o-tolylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide
N-(2-chloro-4-fluorophenyl)-2-[7-methyl-5-(2-methylanilino)-3-oxo-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]acetamide
N-(2-chloro-4-fluorophenyl)-2-{7-methyl-5-[(2-methylphenyl)amino]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl}acetamide
N1-(2-chloro-4-fluorophenyl)-2-[7-methyl-3-oxo-5-(2-toluidino)[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide

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: 1.688
Molar Refractivity: 115.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.89
ACD/LogD (pH 5.5): 2.69
ACD/BCF (pH 5.5): 65.58
ACD/KOC (pH 5.5): 695.12
ACD/LogD (pH 7.4): 2.69
ACD/BCF (pH 7.4): 65.58
ACD/KOC (pH 7.4): 695.08
Polar Surface Area: 89 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 54.1±7.0 dyne/cm
Molar Volume: 301.8±7.0 cm3

Click to predict properties on the Chemicalize site


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