ChemSpider 2D Image | 3-Benzyl-6-{[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one | C23H21N7O5

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

  • Molecular FormulaC23H21N7O5
  • Average mass475.457 Da
  • Monoisotopic mass475.160431 Da
  • ChemSpider ID22279954

More details:

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

3-Benzyl-6-{[3-(3,4,5-trimethoxyphenyl)-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-Benzyl-6-{[3-(3,4,5-trimethoxyphenyl)-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-Benzyl-6-{[3-(3,4,5-triméthoxyphényl)-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, 3,6-dihydro-3-(phenylmethyl)-6-[[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]- [ACD/Index Name]
[1040655-10-4] [RN]
1040655-10-4 [RN]
3-benzyl-6-((3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)-3,6-dihydro-7h-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
3-benzyl-6-((3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one
3-benzyl-6-[[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-one
3-Benzyl-6-[3-(3,4,5-trimethoxy-phenyl)-[1,2,4]oxadiazol-5-ylmethyl]-3,6-dihydro-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 725.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.0±3.0 kJ/mol
Flash Point: 392.8±35.7 °C
Index of Refraction: 1.693
Molar Refractivity: 124.8±0.5 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.33
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 27.07
ACD/KOC (pH 5.5): 368.98
ACD/LogD (pH 7.4): 2.19
ACD/BCF (pH 7.4): 27.07
ACD/KOC (pH 7.4): 368.98
Polar Surface Area: 130 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 57.2±7.0 dyne/cm
Molar Volume: 325.6±7.0 cm3

Click to predict properties on the Chemicalize site


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