ChemSpider 2D Image | 7-(4-Ethoxyphenyl)-2-[(3-methoxybenzyl)sulfanyl]-5-methyl-N-(2-methylphenyl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide | C30H31N5O3S

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

  • Molecular FormulaC30H31N5O3S
  • Average mass541.664 Da
  • Monoisotopic mass541.214783 Da
  • ChemSpider ID23012527

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-ethoxyphenyl)-4,7-dihydro-2-[[(3-methoxyphenyl)methyl]thio]-5-methyl-N-(2-methylphenyl)- [ACD/Index Name]
7-(4-Ethoxyphenyl)-2-[(3-methoxybenzyl)sulfanyl]-5-methyl-N-(2-methylphenyl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-carboxamid [German] [ACD/IUPAC Name]
7-(4-Ethoxyphenyl)-2-[(3-methoxybenzyl)sulfanyl]-5-methyl-N-(2-methylphenyl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide [ACD/IUPAC Name]
7-(4-Éthoxyphényl)-2-[(3-méthoxybenzyl)sulfanyl]-5-méthyl-N-(2-méthylphényl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide [French] [ACD/IUPAC Name]
7-(4-Ethoxy-phenyl)-2-(3-methoxy-benzylsulfanyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid o-tolylamide
7-(4-ethoxyphenyl)-2-[(3-methoxybenzyl)sulfanyl]-5-methyl-N-(2-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
7-(4-ethoxyphenyl)-2-[(3-methoxybenzyl)thio]-5-methyl-N-(2-methylphenyl)-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: 1.653
Molar Refractivity: 154.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.51
ACD/LogD (pH 5.5): 6.27
ACD/BCF (pH 5.5): 34478.52
ACD/KOC (pH 5.5): 61595.01
ACD/LogD (pH 7.4): 6.27
ACD/BCF (pH 7.4): 34482.87
ACD/KOC (pH 7.4): 61602.79
Polar Surface Area: 116 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 48.3±7.0 dyne/cm
Molar Volume: 423.1±7.0 cm3

Click to predict properties on the Chemicalize site


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