ChemSpider 2D Image | 2-{[4-Isobutyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3,4-trifluorophenyl)acetamide | C19H18F3N5OS

2-{[4-Isobutyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3,4-trifluorophenyl)acetamide

  • Molecular FormulaC19H18F3N5OS
  • Average mass421.439 Da
  • Monoisotopic mass421.118408 Da
  • ChemSpider ID21802319

More details:

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

2-{[4-Isobutyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3,4-trifluorophenyl)acetamide [ACD/IUPAC Name]
2-{[4-Isobutyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3,4-trifluorophényl)acétamide [French] [ACD/IUPAC Name]
2-{[4-Isobutyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3,4-trifluorphenyl)acetamid [German] [ACD/IUPAC Name]
2-{[4-Isobutyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3,4-trifluorophenyl)acetamide
Acetamide, 2-[[4-(2-methylpropyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]-N-(2,3,4-trifluorophenyl)- [ACD/Index Name]
2-{[4-(2-methylpropyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3,4-trifluorophenyl)acetamide

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.626
Molar Refractivity: 106.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.61
ACD/LogD (pH 5.5): 3.65
ACD/BCF (pH 5.5): 352.03
ACD/KOC (pH 5.5): 2314.32
ACD/LogD (pH 7.4): 3.65
ACD/BCF (pH 7.4): 351.21
ACD/KOC (pH 7.4): 2308.96
Polar Surface Area: 98 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 44.4±7.0 dyne/cm
Molar Volume: 301.1±7.0 cm3

Click to predict properties on the Chemicalize site


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