ChemSpider 2D Image | 2-Amino-5-[({4-cyclopentyl-5-[4-(2-methyl-2-propanyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(1H)-one | C23H28N8OS

2-Amino-5-[({4-cyclopentyl-5-[4-(2-methyl-2-propanyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(1H)-one

  • Molecular FormulaC23H28N8OS
  • Average mass464.586 Da
  • Monoisotopic mass464.210663 Da
  • ChemSpider ID31907089

More details:

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

[1,2,4]Triazolo[1,5-a]pyrimidin-7(3H)-one, 2-amino-5-[[[4-cyclopentyl-5-[4-(1,1-dimethylethyl)phenyl]-4H-1,2,4-triazol-3-yl]thio]methyl]- [ACD/Index Name]
2-Amino-5-[({4-cyclopentyl-5-[4-(2-methyl-2-propanyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(1H)-on [German] [ACD/IUPAC Name]
2-Amino-5-[({4-cyclopentyl-5-[4-(2-methyl-2-propanyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(1H)-one [ACD/IUPAC Name]
2-Amino-5-[({4-cyclopentyl-5-[4-(2-méthyl-2-propanyl)phényl]-4H-1,2,4-triazol-3-yl}sulfanyl)méthyl][1,2,4]triazolo[1,5-a]pyrimidin-7(1H)-one [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 649.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.8±3.0 kJ/mol
Flash Point: 346.9±34.3 °C
Index of Refraction: 1.755
Molar Refractivity: 129.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.24
ACD/LogD (pH 5.5): 3.35
ACD/BCF (pH 5.5): 207.88
ACD/KOC (pH 5.5): 1587.31
ACD/LogD (pH 7.4): 3.35
ACD/BCF (pH 7.4): 207.96
ACD/KOC (pH 7.4): 1587.86
Polar Surface Area: 139 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 62.7±7.0 dyne/cm
Molar Volume: 316.4±7.0 cm3

Click to predict properties on the Chemicalize site


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