ChemSpider 2D Image | 2-[3-(4-Chlorobenzyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]-N-(4-phenyl-2-butanyl)acetamide | C23H23ClN6O2

2-[3-(4-Chlorobenzyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]-N-(4-phenyl-2-butanyl)acetamide

  • Molecular FormulaC23H23ClN6O2
  • Average mass450.921 Da
  • Monoisotopic mass450.157104 Da
  • ChemSpider ID24594257

More details:

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

2-[3-(4-Chlorbenzyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]-N-(4-phenyl-2-butanyl)acetamid [German] [ACD/IUPAC Name]
2-[3-(4-Chlorobenzyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]-N-(4-phenyl-2-butanyl)acetamide [ACD/IUPAC Name]
2-[3-(4-Chlorobenzyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]-N-(4-phényl-2-butanyl)acétamide [French] [ACD/IUPAC Name]
6H-1,2,3-Triazolo[4,5-d]pyrimidine-6-acetamide, 3-[(4-chlorophenyl)methyl]-3,7-dihydro-N-(1-methyl-3-phenylpropyl)-7-oxo- [ACD/Index Name]
1232803-55-2 [RN]
2-[3-(4-Chloro-benzyl)-7-oxo-3,7-dihydro-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]-N-(1-methyl-3-phenyl-propyl)-acetamide
2-[3-(4-chlorobenzyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]-N-(4-phenylbutan-2-yl)acetamide
2-[3-[(4-chlorophenyl)methyl]-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-(4-phenylbutan-2-yl)acetamide

    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: 1.674
    Molar Refractivity: 124.6±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 3.38
    ACD/LogD (pH 5.5): 2.67
    ACD/BCF (pH 5.5): 62.96
    ACD/KOC (pH 5.5): 675.13
    ACD/LogD (pH 7.4): 2.67
    ACD/BCF (pH 7.4): 62.96
    ACD/KOC (pH 7.4): 675.13
    Polar Surface Area: 92 Å2
    Polarizability: 49.4±0.5 10-24cm3
    Surface Tension: 54.8±7.0 dyne/cm
    Molar Volume: 331.9±7.0 cm3

    Click to predict properties on the Chemicalize site


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