ChemSpider 2D Image | 3-(3-Chlorobenzyl)-6-{[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one | C22H18ClN7O2

3-(3-Chlorobenzyl)-6-{[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

  • Molecular FormulaC22H18ClN7O2
  • Average mass447.877 Da
  • Monoisotopic mass447.121063 Da
  • ChemSpider ID26312752

More details:

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

3-(3-Chlorbenzyl)-6-{[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-on [German] [ACD/IUPAC Name]
3-(3-Chlorobenzyl)-6-{[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one [ACD/IUPAC Name]
3-(3-Chlorobenzyl)-6-{[3-(4-éthylphényl)-1,2,4-oxadiazol-5-yl]méthyl}-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one [French] [ACD/IUPAC Name]
7H-1,2,3-Triazolo[4,5-d]pyrimidin-7-one, 3-[(3-chlorophenyl)methyl]-6-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,6-dihydro- [ACD/Index Name]
1243081-38-0 [RN]
3-(3-chlorobenzyl)-6-((3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl)methyl)-3,6-dihydro-7h-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
3-(3-chlorobenzyl)-6-((3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl)methyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one
3-[(3-chlorophenyl)methyl]-6-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-one
3-[(3-chlorophenyl)methyl]-6-{[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

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

Density: 1.5±0.1 g/cm3
Boiling Point: 692.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.4±3.0 kJ/mol
Flash Point: 372.5±34.3 °C
Index of Refraction: 1.736
Molar Refractivity: 121.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.73
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 215.84
ACD/KOC (pH 5.5): 1630.74
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 215.84
ACD/KOC (pH 7.4): 1630.74
Polar Surface Area: 102 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 61.4±7.0 dyne/cm
Molar Volume: 301.2±7.0 cm3

Click to predict properties on the Chemicalize site


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