ChemSpider 2D Image | 2-{[4-Mesityl-5-(4-methyl-4H-thieno[3,2-b]pyrrol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide | C27H27N5O2S2

2-{[4-Mesityl-5-(4-methyl-4H-thieno[3,2-b]pyrrol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide

  • Molecular FormulaC27H27N5O2S2
  • Average mass517.666 Da
  • Monoisotopic mass517.160645 Da
  • ChemSpider ID20290053

More details:

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

2-{[4-Mesityl-5-(4-methyl-4H-thieno[3,2-b]pyrrol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxyphenyl)acetamid [German] [ACD/IUPAC Name]
2-{[4-Mesityl-5-(4-methyl-4H-thieno[3,2-b]pyrrol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide [ACD/IUPAC Name]
2-{[4-Mésityl-5-(4-méthyl-4H-thiéno[3,2-b]pyrrol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-méthoxyphényl)acétamide [French] [ACD/IUPAC Name]
Acetamide, N-(2-methoxyphenyl)-2-[[5-(4-methyl-4H-thieno[3,2-b]pyrrol-5-yl)-4-(2,4,6-trimethylphenyl)-4H-1,2,4-triazol-3-yl]thio]- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.689
Molar Refractivity: 148.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 8.22
ACD/LogD (pH 5.5): 6.32
ACD/BCF (pH 5.5): 37516.64
ACD/KOC (pH 5.5): 65431.93
ACD/LogD (pH 7.4): 6.32
ACD/BCF (pH 7.4): 37523.03
ACD/KOC (pH 7.4): 65443.06
Polar Surface Area: 128 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 50.8±7.0 dyne/cm
Molar Volume: 388.3±7.0 cm3

Click to predict properties on the Chemicalize site


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