ChemSpider 2D Image | N-(1-Benzyl-4-piperidinyl)-1-(3-ethyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)-3-azetidinecarboxamide | C22H28N8O

N-(1-Benzyl-4-piperidinyl)-1-(3-ethyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)-3-azetidinecarboxamide

  • Molecular FormulaC22H28N8O
  • Average mass420.511 Da
  • Monoisotopic mass420.238617 Da
  • ChemSpider ID30751302

More details:

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

3-Azetidinecarboxamide, 1-(3-ethyl-3H-1,2,3-triazolo[4,5-d]pyrimidin-7-yl)-N-[1-(phenylmethyl)-4-piperidinyl]- [ACD/Index Name]
N-(1-Benzyl-4-piperidinyl)-1-(3-ethyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)-3-azetidincarboxamid [German] [ACD/IUPAC Name]
N-(1-Benzyl-4-piperidinyl)-1-(3-ethyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)-3-azetidinecarboxamide [ACD/IUPAC Name]
N-(1-Benzyl-4-pipéridinyl)-1-(3-éthyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)-3-azétidinecarboxamide [French] [ACD/IUPAC Name]
1448047-13-9 [RN]
N-(1-benzylpiperidin-4-yl)-1-(3-ethyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide
N-(1-benzylpiperidin-4-yl)-1-{3-ethyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}azetidine-3-carboxamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 678.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.6±3.0 kJ/mol
Flash Point: 364.0±31.5 °C
Index of Refraction: 1.736
Molar Refractivity: 119.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.29
ACD/LogD (pH 5.5): -1.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.71
ACD/BCF (pH 7.4): 1.44
ACD/KOC (pH 7.4): 29.98
Polar Surface Area: 92 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 61.4±7.0 dyne/cm
Molar Volume: 296.2±7.0 cm3

Click to predict properties on the Chemicalize site


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