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

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

  • Molecular FormulaC34H39N5O2S
  • Average mass581.771 Da
  • Monoisotopic mass581.282471 Da
  • ChemSpider ID12164740

More details:

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

[1,2,4]Triazolo[1,5-a]pyrimidine-6-carboxamide, N-(2,4-dimethylphenyl)-4,7-dihydro-5-methyl-2-(propylthio)-7-[4-[(2,4,5-trimethylphenyl)methoxy]phenyl]- [ACD/Index Name]
N-(2,4-Dimethylphenyl)-5-methyl-2-(propylsulfanyl)-7-{4-[(2,4,5-trimethylbenzyl)oxy]phenyl}-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-carboxamid [German] [ACD/IUPAC Name]
N-(2,4-Dimethylphenyl)-5-methyl-2-(propylsulfanyl)-7-{4-[(2,4,5-trimethylbenzyl)oxy]phenyl}-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide [ACD/IUPAC Name]
N-(2,4-Diméthylphényl)-5-méthyl-2-(propylsulfanyl)-7-{4-[(2,4,5-triméthylbenzyl)oxy]phényl}-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide [French] [ACD/IUPAC Name]
N-(2,4-Dimethylphenyl)-5-methyl-2-(propylsulfanyl)-7-{4-[(2,4,5-trimethylbenzyl)oxy]phenyl}-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: 1.636
Molar Refractivity: 171.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 9.85
ACD/LogD (pH 5.5): 7.95
ACD/BCF (pH 5.5): 649755.38
ACD/KOC (pH 5.5): 503848.63
ACD/LogD (pH 7.4): 7.95
ACD/BCF (pH 7.4): 649946.56
ACD/KOC (pH 7.4): 503996.91
Polar Surface Area: 106 Å2
Polarizability: 68.0±0.5 10-24cm3
Surface Tension: 43.5±7.0 dyne/cm
Molar Volume: 478.2±7.0 cm3

Click to predict properties on the Chemicalize site


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