ChemSpider 2D Image | 2-({4-[(E)-(2,4-Dichlorobenzylidene)amino]-5-(2,2-dimethylpropyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N,N-dipropylacetamide | C22H31Cl2N5OS

2-({4-[(E)-(2,4-Dichlorobenzylidene)amino]-5-(2,2-dimethylpropyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N,N-dipropylacetamide

  • Molecular FormulaC22H31Cl2N5OS
  • Average mass484.485 Da
  • Monoisotopic mass483.162628 Da
  • ChemSpider ID126537969

  • Double-bond stereo - Double-bond stereo

More details:

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

2-({4-[(E)-(2,4-Dichlorbenzyliden)amino]-5-(2,2-dimethylpropyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N,N-dipropylacetamid [German] [ACD/IUPAC Name]
2-({4-[(E)-(2,4-Dichlorobenzylidene)amino]-5-(2,2-dimethylpropyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N,N-dipropylacetamide [ACD/IUPAC Name]
2-({4-[(E)-(2,4-Dichlorobenzylidène)amino]-5-(2,2-diméthylpropyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N,N-dipropylacétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[[4-[[(1E)-(2,4-dichlorophenyl)methylene]amino]-5-(2,2-dimethylpropyl)-4H-1,2,4-triazol-3-yl]thio]-N,N-dipropyl- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 616.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.4±3.0 kJ/mol
Flash Point: 326.6±34.3 °C
Index of Refraction: 1.588
Molar Refractivity: 133.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 7.28
ACD/LogD (pH 5.5): 6.34
ACD/BCF (pH 5.5): 39066.97
ACD/KOC (pH 5.5): 67353.12
ACD/LogD (pH 7.4): 6.34
ACD/BCF (pH 7.4): 39080.36
ACD/KOC (pH 7.4): 67376.20
Polar Surface Area: 89 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 42.4±7.0 dyne/cm
Molar Volume: 396.6±7.0 cm3

Click to predict properties on the Chemicalize site


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