ChemSpider 2D Image | 2-[3-(3-Chlorobenzyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide | C21H18Cl2N6O4

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

  • Molecular FormulaC21H18Cl2N6O4
  • Average mass489.311 Da
  • Monoisotopic mass488.076660 Da
  • ChemSpider ID123924780

More details:

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

2-[3-(3-Chlorbenzyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]-N-(4-chlor-2,5-dimethoxyphenyl)acetamid [German] [ACD/IUPAC Name]
2-[3-(3-Chlorobenzyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide [ACD/IUPAC Name]
2-[3-(3-Chlorobenzyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]-N-(4-chloro-2,5-diméthoxyphényl)acétamide [French] [ACD/IUPAC Name]
6H-1,2,3-Triazolo[4,5-d]pyrimidine-6-acetamide, N-(4-chloro-2,5-dimethoxyphenyl)-3-[(3-chlorophenyl)methyl]-3,7-dihydro-7-oxo- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.689
Molar Refractivity: 122.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.80
ACD/LogD (pH 5.5): 3.20
ACD/BCF (pH 5.5): 159.85
ACD/KOC (pH 5.5): 1315.32
ACD/LogD (pH 7.4): 3.20
ACD/BCF (pH 7.4): 159.81
ACD/KOC (pH 7.4): 1314.95
Polar Surface Area: 111 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 57.9±7.0 dyne/cm
Molar Volume: 321.1±7.0 cm3

Click to predict properties on the Chemicalize site


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