ChemSpider 2D Image | N-(4-Chlorobenzyl)-1-(3-ethyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)-3-azetidinecarboxamide | C17H18ClN7O

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

  • Molecular FormulaC17H18ClN7O
  • Average mass371.824 Da
  • Monoisotopic mass371.126129 Da
  • ChemSpider ID30751285

More details:

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

3-Azetidinecarboxamide, N-[(4-chlorophenyl)methyl]-1-(3-ethyl-3H-1,2,3-triazolo[4,5-d]pyrimidin-7-yl)- [ACD/Index Name]
N-(4-Chlorbenzyl)-1-(3-ethyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)-3-azetidincarboxamid [German] [ACD/IUPAC Name]
N-(4-Chlorobenzyl)-1-(3-ethyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)-3-azetidinecarboxamide [ACD/IUPAC Name]
N-(4-Chlorobenzyl)-1-(3-éthyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)-3-azétidinecarboxamide [French] [ACD/IUPAC Name]
1448068-73-2 [RN]
N-(4-chlorobenzyl)-1-(3-ethyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide
N-[(4-chlorophenyl)methyl]-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: 1.5±0.1 g/cm3
Boiling Point: 670.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.5±3.0 kJ/mol
Flash Point: 359.3±31.5 °C
Index of Refraction: 1.751
Molar Refractivity: 99.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.07
ACD/LogD (pH 5.5): 1.33
ACD/BCF (pH 5.5): 6.03
ACD/KOC (pH 5.5): 125.25
ACD/LogD (pH 7.4): 1.34
ACD/BCF (pH 7.4): 6.14
ACD/KOC (pH 7.4): 127.54
Polar Surface Area: 89 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 63.4±7.0 dyne/cm
Molar Volume: 243.0±7.0 cm3

Click to predict properties on the Chemicalize site


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