ChemSpider 2D Image | Ethyl 2-[(2-chloro-4-fluorobenzyl)sulfanyl]-7-(3,4-dimethoxyphenyl)-5-methyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate | C24H24ClFN4O4S

Ethyl 2-[(2-chloro-4-fluorobenzyl)sulfanyl]-7-(3,4-dimethoxyphenyl)-5-methyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

  • Molecular FormulaC24H24ClFN4O4S
  • Average mass518.988 Da
  • Monoisotopic mass518.119080 Da
  • ChemSpider ID20235879

More details:






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

[1,2,4]Triazolo[1,5-a]pyrimidine-6-carboxylic acid, 2-[[(2-chloro-4-fluorophenyl)methyl]thio]-7-(3,4-dimethoxyphenyl)-4,7-dihydro-5-methyl-, ethyl ester [ACD/Index Name]
2-[(2-Chloro-4-fluorobenzyl)sulfanyl]-7-(3,4-diméthoxyphényl)-5-méthyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 2-[(2-chloro-4-fluorobenzyl)sulfanyl]-7-(3,4-dimethoxyphenyl)-5-methyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate [ACD/IUPAC Name]
Ethyl-2-[(2-chlor-4-fluorbenzyl)sulfanyl]-7-(3,4-dimethoxyphenyl)-5-methyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-carboxylat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 655.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.5±3.0 kJ/mol
Flash Point: 350.2±34.3 °C
Index of Refraction: 1.637
Molar Refractivity: 132.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.61
ACD/LogD (pH 5.5): 5.62
ACD/BCF (pH 5.5): 10913.14
ACD/KOC (pH 5.5): 27036.39
ACD/LogD (pH 7.4): 5.62
ACD/BCF (pH 7.4): 10913.58
ACD/KOC (pH 7.4): 27037.49
Polar Surface Area: 113 Å2
Polarizability: 52.6±0.5 10-24cm3
Surface Tension: 47.0±7.0 dyne/cm
Molar Volume: 369.3±7.0 cm3

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