ChemSpider 2D Image | (2S)-1-{4-[7-(3,4-Dichlorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-1-piperazinyl}-1-oxo-2-propanyl acetate | C20H20Cl2N6O3

(2S)-1-{4-[7-(3,4-Dichlorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-1-piperazinyl}-1-oxo-2-propanyl acetate

  • Molecular FormulaC20H20Cl2N6O3
  • Average mass463.317 Da
  • Monoisotopic mass462.097382 Da
  • ChemSpider ID22840165

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-1-{4-[7-(3,4-Dichlorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-1-piperazinyl}-1-oxo-2-propanyl acetate [ACD/IUPAC Name]
(2S)-1-{4-[7-(3,4-Dichlorphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-1-piperazinyl}-1-oxo-2-propanyl-acetat [German] [ACD/IUPAC Name]
1-Propanone, 2-(acetyloxy)-1-[4-[7-(3,4-dichlorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-1-piperazinyl]-, (2S)- [ACD/Index Name]
Acétate de (2S)-1-{4-[7-(3,4-dichlorophényl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-1-pipérazinyl}-1-oxo-2-propanyle [French] [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: 1.698
Molar Refractivity: 117.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.74
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 56.62
ACD/KOC (pH 5.5): 623.62
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 57.28
ACD/KOC (pH 7.4): 630.92
Polar Surface Area: 93 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 58.4±7.0 dyne/cm
Molar Volume: 304.7±7.0 cm3

Click to predict properties on the Chemicalize site


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