ChemSpider 2D Image | 7-(4-Fluorophenyl)-2-[(3-methoxybenzyl)sulfanyl]-N-(2-methoxyphenyl)-5-methyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide | C28H26FN5O3S

7-(4-Fluorophenyl)-2-[(3-methoxybenzyl)sulfanyl]-N-(2-methoxyphenyl)-5-methyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

  • Molecular FormulaC28H26FN5O3S
  • Average mass531.601 Da
  • Monoisotopic mass531.174011 Da
  • ChemSpider ID23012509

More details:

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

[1,2,4]Triazolo[1,5-a]pyrimidine-6-carboxamide, 7-(4-fluorophenyl)-4,7-dihydro-N-(2-methoxyphenyl)-2-[[(3-methoxyphenyl)methyl]thio]-5-methyl- [ACD/Index Name]
7-(4-Fluorophenyl)-2-[(3-methoxybenzyl)sulfanyl]-N-(2-methoxyphenyl)-5-methyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide [ACD/IUPAC Name]
7-(4-Fluorophényl)-2-[(3-méthoxybenzyl)sulfanyl]-N-(2-méthoxyphényl)-5-méthyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide [French] [ACD/IUPAC Name]
7-(4-Fluorphenyl)-2-[(3-methoxybenzyl)sulfanyl]-N-(2-methoxyphenyl)-5-methyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-carboxamid [German] [ACD/IUPAC Name]
7-(4-fluorophenyl)-2-[(3-methoxybenzyl)thio]-N-(2-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.660
Molar Refractivity: 145.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.55
ACD/LogD (pH 5.5): 5.83
ACD/BCF (pH 5.5): 15858.22
ACD/KOC (pH 5.5): 35327.11
ACD/LogD (pH 7.4): 5.83
ACD/BCF (pH 7.4): 15860.92
ACD/KOC (pH 7.4): 35333.12
Polar Surface Area: 116 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 49.2±7.0 dyne/cm
Molar Volume: 394.8±7.0 cm3

Click to predict properties on the Chemicalize site


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