ChemSpider 2D Image | 7-{2-[(4-tert-Butylbenzyl)oxy]phenyl}-5-methyl-N-(4-methylphenyl)-2-(propylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide | C34H39N5O2S

7-{2-[(4-tert-Butylbenzyl)oxy]phenyl}-5-methyl-N-(4-methylphenyl)-2-(propylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

  • Molecular FormulaC34H39N5O2S
  • Average mass581.771 Da
  • Monoisotopic mass581.282471 Da
  • ChemSpider ID12165347

More details:

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

[1,2,4]Triazolo[1,5-a]pyrimidine-6-carboxamide, 7-[2-[[4-(1,1-dimethylethyl)phenyl]methoxy]phenyl]-4,7-dihydro-5-methyl-N-(4-methylphenyl)-2-(propylthio)- [ACD/Index Name]
5-Methyl-N-(4-methylphenyl)-7-(2-{[4-(2-methyl-2-propanyl)benzyl]oxy}phenyl)-2-(propylsulfanyl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-carboxamid [German] [ACD/IUPAC Name]
5-Methyl-N-(4-methylphenyl)-7-(2-{[4-(2-methyl-2-propanyl)benzyl]oxy}phenyl)-2-(propylsulfanyl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide [ACD/IUPAC Name]
5-Méthyl-N-(4-méthylphényl)-7-(2-{[4-(2-méthyl-2-propanyl)benzyl]oxy}phényl)-2-(propylsulfanyl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide [French] [ACD/IUPAC Name]
7-{2-[(4-tert-Butylbenzyl)oxy]phenyl}-5-methyl-N-(4-methylphenyl)-2-(propylsulfanyl)-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: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.629
Molar Refractivity: 172.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 9.69
ACD/LogD (pH 5.5): 8.31
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 786464.25
ACD/LogD (pH 7.4): 8.31
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 786584.31
Polar Surface Area: 106 Å2
Polarizability: 68.2±0.5 10-24cm3
Surface Tension: 44.4±7.0 dyne/cm
Molar Volume: 484.4±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement