ChemSpider 2D Image | 2-(Butylsulfanyl)-5-methyl-N-(3-methylphenyl)-7-{4-[(2,4,5-trimethylbenzyl)oxy]phenyl}-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide | C34H39N5O2S

2-(Butylsulfanyl)-5-methyl-N-(3-methylphenyl)-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 ID12181079

More details:

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

[1,2,4]Triazolo[1,5-a]pyrimidine-6-carboxamide, 2-(butylthio)-4,7-dihydro-5-methyl-N-(3-methylphenyl)-7-[4-[(2,4,5-trimethylphenyl)methoxy]phenyl]- [ACD/Index Name]
2-(Butylsulfanyl)-5-methyl-N-(3-methylphenyl)-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]
2-(Butylsulfanyl)-5-methyl-N-(3-methylphenyl)-7-{4-[(2,4,5-trimethylbenzyl)oxy]phenyl}-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide [ACD/IUPAC Name]
2-(Butylsulfanyl)-5-méthyl-N-(3-méthylphényl)-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]
2-(Butylsulfanyl)-5-methyl-N-(3-methylphenyl)-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: 1.635
Molar Refractivity: 171.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 9.92
ACD/LogD (pH 5.5): 8.20
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 690306.88
ACD/LogD (pH 7.4): 8.20
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 690402.38
Polar Surface Area: 106 Å2
Polarizability: 68.0±0.5 10-24cm3
Surface Tension: 44.2±7.0 dyne/cm
Molar Volume: 479.1±7.0 cm3

Click to predict properties on the Chemicalize site


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