ChemSpider 2D Image | Methyl 4-{4-[7-(3,4-dichlorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-1-piperazinyl}-4-oxobutanoate | C20H20Cl2N6O3

Methyl 4-{4-[7-(3,4-dichlorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-1-piperazinyl}-4-oxobutanoate

  • Molecular FormulaC20H20Cl2N6O3
  • Average mass463.317 Da
  • Monoisotopic mass462.097382 Da
  • ChemSpider ID22749218

More details:

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

1-Piperazinebutanoic acid, 4-[7-(3,4-dichlorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-γ-oxo-, methyl ester [ACD/Index Name]
4-{4-[7-(3,4-Dichlorophényl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-1-pipérazinyl}-4-oxobutanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 4-{4-[7-(3,4-dichlorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-1-piperazinyl}-4-oxobutanoate [ACD/IUPAC Name]
Methyl-4-{4-[7-(3,4-dichlorphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-1-piperazinyl}-4-oxobutanoat [German] [ACD/IUPAC Name]

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: 1.697
Molar Refractivity: 117.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.75
ACD/LogD (pH 5.5): 2.69
ACD/BCF (pH 5.5): 65.62
ACD/KOC (pH 5.5): 692.63
ACD/LogD (pH 7.4): 2.70
ACD/BCF (pH 7.4): 66.53
ACD/KOC (pH 7.4): 702.26
Polar Surface Area: 93 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 59.8±7.0 dyne/cm
Molar Volume: 305.6±7.0 cm3

Click to predict properties on the Chemicalize site


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