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

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

  • Molecular FormulaC21H24N8O2S
  • Average mass452.533 Da
  • Monoisotopic mass452.174286 Da
  • ChemSpider ID22364574

More details:

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

1,3,5-Triazine-2,4-diamine, 6-[1-[[4-(2-furanylmethyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]ethyl]-N2,N2-dimethyl- [ACD/Index Name]
6-(1-{[4-(2-Furylmethyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethyl)-N,N-dimethyl-1,3,5-triazin-2,4-diamin [German] [ACD/IUPAC Name]
6-(1-{[4-(2-Furylmethyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethyl)-N,N-dimethyl-1,3,5-triazine-2,4-diamine [ACD/IUPAC Name]
6-(1-{[4-(2-Furylméthyl)-5-(3-méthoxyphényl)-4H-1,2,4-triazol-3-yl]sulfanyl}éthyl)-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: 1.4±0.1 g/cm3
Boiling Point: 724.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 105.8±3.0 kJ/mol
Flash Point: 392.1±35.7 °C
Index of Refraction: 1.697
Molar Refractivity: 124.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.48
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 47.42
ACD/KOC (pH 5.5): 542.88
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 49.97
ACD/KOC (pH 7.4): 572.12
Polar Surface Area: 146 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 55.1±7.0 dyne/cm
Molar Volume: 322.2±7.0 cm3

Click to predict properties on the Chemicalize site


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