ChemSpider 2D Image | 3-{[(2Z)-3-Phenyl-2-propen-1-yl]sulfanyl}-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-amine | C20H22N4O3S

3-{[(2Z)-3-Phenyl-2-propen-1-yl]sulfanyl}-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-amine

  • Molecular FormulaC20H22N4O3S
  • Average mass398.479 Da
  • Monoisotopic mass398.141266 Da
  • ChemSpider ID128531267

  • Double-bond stereo - Double-bond stereo

More details:

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

3-{[(2Z)-3-Phenyl-2-propen-1-yl]sulfanyl}-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-amin [German] [ACD/IUPAC Name]
3-{[(2Z)-3-Phenyl-2-propen-1-yl]sulfanyl}-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-amine [ACD/IUPAC Name]
3-{[(2Z)-3-Phényl-2-propén-1-yl]sulfanyl}-5-(3,4,5-triméthoxyphényl)-4H-1,2,4-triazol-4-amine [French] [ACD/IUPAC Name]
4H-1,2,4-Triazol-4-amine, 3-[[(2Z)-3-phenyl-2-propen-1-yl]thio]-5-(3,4,5-trimethoxyphenyl)- [ACD/Index 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: 618.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.7±3.0 kJ/mol
Flash Point: 327.8±34.3 °C
Index of Refraction: 1.613
Molar Refractivity: 110.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.92
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 187.94
ACD/KOC (pH 5.5): 1476.86
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 187.95
ACD/KOC (pH 7.4): 1476.94
Polar Surface Area: 110 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 46.3±7.0 dyne/cm
Molar Volume: 317.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement