ChemSpider 2D Image | 6-(1-{[4-(2-Isopropylphenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethyl)-N,N-dimethyl-1,3,5-triazine-2,4-diamine | C25H30N8OS

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

  • Molecular FormulaC25H30N8OS
  • Average mass490.624 Da
  • Monoisotopic mass490.226318 Da
  • ChemSpider ID33039358

More details:

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

1,3,5-Triazine-2,4-diamine, 6-[1-[[5-(4-methoxyphenyl)-4-[2-(1-methylethyl)phenyl]-4H-1,2,4-triazol-3-yl]thio]ethyl]-N2,N2-dimethyl- [ACD/Index Name]
6-(1-{[4-(2-Isopropylphenyl)-5-(4-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-Isopropylphenyl)-5-(4-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-Isopropylphényl)-5-(4-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: 1.3±0.1 g/cm3
Boiling Point: 724.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.7±3.0 kJ/mol
Flash Point: 391.7±35.7 °C
Index of Refraction: 1.667
Molar Refractivity: 140.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.07
ACD/LogD (pH 5.5): 4.69
ACD/BCF (pH 5.5): 2137.91
ACD/KOC (pH 5.5): 8299.28
ACD/LogD (pH 7.4): 4.71
ACD/BCF (pH 7.4): 2245.92
ACD/KOC (pH 7.4): 8718.56
Polar Surface Area: 133 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 48.5±7.0 dyne/cm
Molar Volume: 378.2±7.0 cm3

Click to predict properties on the Chemicalize site


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