ChemSpider 2D Image | 2-[3-Acetyl-5-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-4-nitrophenyl acetate | C19H17N7O6

2-[3-Acetyl-5-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-4-nitrophenyl acetate

  • Molecular FormulaC19H17N7O6
  • Average mass439.382 Da
  • Monoisotopic mass439.124023 Da
  • ChemSpider ID21914537

More details:






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

2-[3-Acetyl-5-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-4-nitrophenyl acetate [ACD/IUPAC Name]
2-[3-Acetyl-5-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-4-nitrophenyl-acetat [German] [ACD/IUPAC Name]
Acétate de 2-[3-acétyl-5-(5,7-diméthyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-4-nitrophényle [French] [ACD/IUPAC Name]
Ethanone, 1-[2-[2-(acetyloxy)-5-nitrophenyl]-5-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1,3,4-oxadiazol-3(2H)-yl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.731
Molar Refractivity: 109.4±0.5 cm3
#H bond acceptors: 13
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 0.65
ACD/LogD (pH 5.5): 0.94
ACD/BCF (pH 5.5): 3.03
ACD/KOC (pH 5.5): 76.92
ACD/LogD (pH 7.4): 0.94
ACD/BCF (pH 7.4): 3.03
ACD/KOC (pH 7.4): 76.92
Polar Surface Area: 157 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 66.1±7.0 dyne/cm
Molar Volume: 274.0±7.0 cm3

Click to predict properties on the Chemicalize site






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