ChemSpider 2D Image | 2-({4-[2-(3,4-Diethoxyphenyl)ethyl]-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methyl-2-propanyl)acetamide | C27H36N4O4S

2-({4-[2-(3,4-Diethoxyphenyl)ethyl]-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methyl-2-propanyl)acetamide

  • Molecular FormulaC27H36N4O4S
  • Average mass512.664 Da
  • Monoisotopic mass512.245728 Da
  • ChemSpider ID4204298

More details:

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

2-({4-[2-(3,4-Diethoxyphenyl)ethyl]-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methyl-2-propanyl)acetamid [German] [ACD/IUPAC Name]
2-({4-[2-(3,4-Diethoxyphenyl)ethyl]-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methyl-2-propanyl)acetamide [ACD/IUPAC Name]
2-({4-[2-(3,4-Diéthoxyphényl)éthyl]-5-(4-méthoxyphényl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-méthyl-2-propanyl)acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[[4-[2-(3,4-diethoxyphenyl)ethyl]-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]-N-(1,1-dimethylethyl)- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.576
Molar Refractivity: 144.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 6.13
ACD/LogD (pH 5.5): 5.26
ACD/BCF (pH 5.5): 5831.56
ACD/KOC (pH 5.5): 17263.59
ACD/LogD (pH 7.4): 5.26
ACD/BCF (pH 7.4): 5832.00
ACD/KOC (pH 7.4): 17264.90
Polar Surface Area: 113 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 41.2±7.0 dyne/cm
Molar Volume: 437.5±7.0 cm3

Click to predict properties on the Chemicalize site


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