ChemSpider 2D Image | 1-{4-[3-(4-tert-Butyl-benzyl)-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl]-piperidin-1-yl}-2-thiophen-2-yl-ethanone | C26H30N6O2S

1-{4-[3-(4-tert-Butyl-benzyl)-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl]-piperidin-1-yl}-2-thiophen-2-yl-ethanone

  • Molecular FormulaC26H30N6O2S
  • Average mass490.620 Da
  • Monoisotopic mass490.215088 Da
  • ChemSpider ID17901590

More details:

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

1-(4-{7-Hydroxy-3-[4-(2-methyl-2-propanyl)benzyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}-1-piperidinyl)-2-(2-thienyl)ethanon [German] [ACD/IUPAC Name]
1-(4-{7-Hydroxy-3-[4-(2-methyl-2-propanyl)benzyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}-1-piperidinyl)-2-(2-thienyl)ethanone [ACD/IUPAC Name]
1-(4-{7-Hydroxy-3-[4-(2-méthyl-2-propanyl)benzyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}-1-pipéridinyl)-2-(2-thiényl)éthanone [French] [ACD/IUPAC Name]
1-{4-[3-(4-tert-Butyl-benzyl)-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl]-piperidin-1-yl}-2-thiophen-2-yl-ethanone
Ethanone, 1-[4-[3-[[4-(1,1-dimethylethyl)phenyl]methyl]-7-hydroxy-3H-1,2,3-triazolo[4,5-d]pyrimidin-5-yl]-1-piperidinyl]-2-(2-thienyl)- [ACD/Index Name]
3-(4-tert-butylbenzyl)-5-[1-[2-(2-thienyl)acetyl]-4-piperidyl]-2H-triazolo[4,5-d]pyrimidin-7-one

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: 1.700
Molar Refractivity: 139.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.06
ACD/LogD (pH 5.5): 1.51
ACD/BCF (pH 5.5): 2.27
ACD/KOC (pH 5.5): 13.54
ACD/LogD (pH 7.4): 1.45
ACD/BCF (pH 7.4): 1.98
ACD/KOC (pH 7.4): 11.85
Polar Surface Area: 125 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 55.8±7.0 dyne/cm
Molar Volume: 360.3±7.0 cm3

Click to predict properties on the Chemicalize site


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