ChemSpider 2D Image | N-(2-Methoxyethyl)-2-{[4-phenyl-5-(2-thienylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-thienylmethyl)acetamide | C23H24N4O2S3

N-(2-Methoxyethyl)-2-{[4-phenyl-5-(2-thienylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-thienylmethyl)acetamide

  • Molecular FormulaC23H24N4O2S3
  • Average mass484.657 Da
  • Monoisotopic mass484.106140 Da
  • ChemSpider ID22565678

More details:

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

Acetamide, N-(2-methoxyethyl)-2-[[4-phenyl-5-(2-thienylmethyl)-4H-1,2,4-triazol-3-yl]thio]-N-(2-thienylmethyl)- [ACD/Index Name]
N-(2-Methoxyethyl)-2-{[4-phenyl-5-(2-thienylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-thienylmethyl)acetamid [German] [ACD/IUPAC Name]
N-(2-Methoxyethyl)-2-{[4-phenyl-5-(2-thienylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-thienylmethyl)acetamide [ACD/IUPAC Name]
N-(2-Méthoxyéthyl)-2-{[4-phényl-5-(2-thiénylméthyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-thiénylméthyl)acétamide [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: 695.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.9±3.0 kJ/mol
Flash Point: 374.5±34.3 °C
Index of Refraction: 1.677
Molar Refractivity: 137.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 5.36
ACD/LogD (pH 5.5): 4.59
ACD/BCF (pH 5.5): 1827.26
ACD/KOC (pH 5.5): 7522.97
ACD/LogD (pH 7.4): 4.59
ACD/BCF (pH 7.4): 1827.31
ACD/KOC (pH 7.4): 7523.20
Polar Surface Area: 142 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 55.1±7.0 dyne/cm
Molar Volume: 365.9±7.0 cm3

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