ChemSpider 2D Image | 9-(3-Chlorobenzyl)-3-(4-ethoxyphenyl)-5,7-dimethyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione | C23H21ClN6O3

9-(3-Chlorobenzyl)-3-(4-ethoxyphenyl)-5,7-dimethyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione

  • Molecular FormulaC23H21ClN6O3
  • Average mass464.904 Da
  • Monoisotopic mass464.136353 Da
  • ChemSpider ID22218313

More details:

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

6H-1,2,4-Triazolo[4,3-e]purine-6,8(7H)-dione, 9-[(3-chlorophenyl)methyl]-3-(4-ethoxyphenyl)-5,9-dihydro-5,7-dimethyl- [ACD/Index Name]
9-(3-Chlorbenzyl)-3-(4-ethoxyphenyl)-5,7-dimethyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purin-6,8(7H)-dion [German] [ACD/IUPAC Name]
9-(3-Chlorobenzyl)-3-(4-ethoxyphenyl)-5,7-dimethyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione [ACD/IUPAC Name]
9-(3-Chlorobenzyl)-3-(4-éthoxyphényl)-5,7-diméthyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione [French] [ACD/IUPAC Name]
9-(3-chlorobenzyl)-3-(4-ethoxyphenyl)-5,7-dimethyl-5H-[1,2,4]triazolo[4,3-e]purine-6,8(7H,9H)-dione
9-[(3-chlorophenyl)methyl]-3-(4-ethoxyphenyl)-5,7-dimethyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[3,4-h]purine-6,8-dione
921811-45-2 [RN]

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: 1.708
Molar Refractivity: 124.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.40
ACD/LogD (pH 5.5): 3.43
ACD/BCF (pH 5.5): 239.79
ACD/KOC (pH 5.5): 1754.21
ACD/LogD (pH 7.4): 3.44
ACD/BCF (pH 7.4): 241.73
ACD/KOC (pH 7.4): 1768.40
Polar Surface Area: 85 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 57.3±7.0 dyne/cm
Molar Volume: 320.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement