Found 620 results

Search term: MF = 'C_{22}H_{21}ClN_{6}O_{2}'
ChemSpider 2D Image | N-(4-Chlorophenyl)-2-{5-[(3,5-dimethylphenyl)amino]-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl}acetamide | C22H21ClN6O2

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

  • Molecular FormulaC22H21ClN6O2
  • Average mass436.894 Da
  • Monoisotopic mass436.141449 Da
  • ChemSpider ID26319911

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-(4-chlorophenyl)-5-[(3,5-dimethylphenyl)amino]-7-methyl-3-oxo- [ACD/Index Name]
N-(4-Chlorophenyl)-2-{5-[(3,5-dimethylphenyl)amino]-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl}acetamide [ACD/IUPAC Name]
N-(4-Chlorophényl)-2-{5-[(3,5-diméthylphényl)amino]-7-méthyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl}acétamide [French] [ACD/IUPAC Name]
N-(4-Chlorphenyl)-2-{5-[(3,5-dimethylphenyl)amino]-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl}acetamid [German] [ACD/IUPAC Name]
1251553-25-9 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4534757/
N-(4-chlorophenyl)-2-(5-((3,5-dimethylphenyl)amino)-7-methyl-3-oxo-[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide
N-(4-chlorophenyl)-2-{5-[(3,5-dimethylphenyl)amino]-7-methyl-3-oxo-2H,3H-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl}acetamide
N1-(4-chlorophenyl)-2-[5-(3,5-dimethylanilino)-7-methyl-3-oxo[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: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.687
Molar Refractivity: 119.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.17
ACD/LogD (pH 5.5): 3.20
ACD/BCF (pH 5.5): 158.90
ACD/KOC (pH 5.5): 1309.71
ACD/LogD (pH 7.4): 3.20
ACD/BCF (pH 7.4): 158.90
ACD/KOC (pH 7.4): 1309.71
Polar Surface Area: 89 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 53.5±7.0 dyne/cm
Molar Volume: 314.1±7.0 cm3

Click to predict properties on the Chemicalize site


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