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

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

  • Molecular FormulaC30H31N5O3S
  • Average mass541.664 Da
  • Monoisotopic mass541.214783 Da
  • ChemSpider ID20395733

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-N-(4-methoxyphenyl)-5-methyl-2-[[(3-methylphenyl)methyl]thio]- [ACD/Index Name]
7-(4-Ethoxyphenyl)-N-(4-methoxyphenyl)-5-methyl-2-[(3-methylbenzyl)sulfanyl]-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-carboxamid [German] [ACD/IUPAC Name]
7-(4-Ethoxyphenyl)-N-(4-methoxyphenyl)-5-methyl-2-[(3-methylbenzyl)sulfanyl]-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide [ACD/IUPAC Name]
7-(4-Éthoxyphényl)-N-(4-méthoxyphényl)-5-méthyl-2-[(3-méthylbenzyl)sulfanyl]-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide [French] [ACD/IUPAC Name]
7-(4-Ethoxy-phenyl)-5-methyl-2-(3-methyl-benzylsulfanyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid (4-methoxy-phenyl)-amide
7-(4-ethoxyphenyl)-N-(4-methoxyphenyl)-5-methyl-2-[(3-methylbenzyl)sulfanyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
7-(4-ethoxyphenyl)-N-(4-methoxyphenyl)-5-methyl-2-[(3-methylbenzyl)thio]-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: 7.55
ACD/LogD (pH 5.5): 6.28
ACD/BCF (pH 5.5): 34910.75
ACD/KOC (pH 5.5): 62146.13
ACD/LogD (pH 7.4): 6.28
ACD/BCF (pH 7.4): 34916.20
ACD/KOC (pH 7.4): 62155.82
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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