ChemSpider 2D Image | 6-[({4-(2-Furylmethyl)-5-[4-(2-methyl-2-propanyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-N,N-dimethyl-1,3,5-triazine-2,4-diamine | C23H28N8OS

6-[({4-(2-Furylmethyl)-5-[4-(2-methyl-2-propanyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-N,N-dimethyl-1,3,5-triazine-2,4-diamine

  • Molecular FormulaC23H28N8OS
  • Average mass464.586 Da
  • Monoisotopic mass464.210663 Da
  • ChemSpider ID33039843

More details:

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

1,3,5-Triazine-2,4-diamine, 6-[[[5-[4-(1,1-dimethylethyl)phenyl]-4-(2-furanylmethyl)-4H-1,2,4-triazol-3-yl]thio]methyl]-N2,N2-dimethyl- [ACD/Index Name]
6-[({4-(2-Furylmethyl)-5-[4-(2-methyl-2-propanyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-N,N-dimethyl-1,3,5-triazin-2,4-diamin [German] [ACD/IUPAC Name]
6-[({4-(2-Furylmethyl)-5-[4-(2-methyl-2-propanyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-N,N-dimethyl-1,3,5-triazine-2,4-diamine [ACD/IUPAC Name]
6-[({4-(2-Furylméthyl)-5-[4-(2-méthyl-2-propanyl)phényl]-4H-1,2,4-triazol-3-yl}sulfanyl)méthyl]-N,N-diméthyl-1,3,5-triazine-2,4-diamine [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 699.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.4±3.0 kJ/mol
Flash Point: 377.0±34.3 °C
Index of Refraction: 1.674
Molar Refractivity: 132.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.66
ACD/LogD (pH 5.5): 4.06
ACD/BCF (pH 5.5): 706.56
ACD/KOC (pH 5.5): 3741.96
ACD/LogD (pH 7.4): 4.09
ACD/BCF (pH 7.4): 752.77
ACD/KOC (pH 7.4): 3986.68
Polar Surface Area: 137 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 51.4±7.0 dyne/cm
Molar Volume: 352.4±7.0 cm3

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