ChemSpider 2D Image | 6-({[4-(2-Furylmethyl)-5-isopropyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine | C21H24N8O2S

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

  • Molecular FormulaC21H24N8O2S
  • Average mass452.533 Da
  • Monoisotopic mass452.174286 Da
  • ChemSpider ID22090162

More details:

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

1,3,5-Triazine-2,4-diamine, 6-[[[4-(2-furanylmethyl)-5-(1-methylethyl)-4H-1,2,4-triazol-3-yl]thio]methyl]-N2-(2-methoxyphenyl)- [ACD/Index Name]
6-({[4-(2-Furylmethyl)-5-isopropyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methoxyphenyl)-1,3,5-triazin-2,4-diamin [German] [ACD/IUPAC Name]
6-({[4-(2-Furylmethyl)-5-isopropyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine [ACD/IUPAC Name]
6-({[4-(2-Furylméthyl)-5-isopropyl-4H-1,2,4-triazol-3-yl]sulfanyl}méthyl)-N-(2-méthoxyphényl)-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: 1.4±0.1 g/cm3
Boiling Point: 727.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.2±3.0 kJ/mol
Flash Point: 393.8±35.7 °C
Index of Refraction: 1.706
Molar Refractivity: 123.4±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.35
ACD/LogD (pH 5.5): 3.05
ACD/BCF (pH 5.5): 122.19
ACD/KOC (pH 5.5): 1078.67
ACD/LogD (pH 7.4): 3.06
ACD/BCF (pH 7.4): 124.79
ACD/KOC (pH 7.4): 1101.57
Polar Surface Area: 155 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 57.0±7.0 dyne/cm
Molar Volume: 317.0±7.0 cm3

Click to predict properties on the Chemicalize site


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