ChemSpider 2D Image | 2-({5-[4-(Diethylamino)phenyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[(2,2,2-trifluoroethyl)carbamoyl]acetamide | C19H25F3N6O2S

2-({5-[4-(Diethylamino)phenyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[(2,2,2-trifluoroethyl)carbamoyl]acetamide

  • Molecular FormulaC19H25F3N6O2S
  • Average mass458.501 Da
  • Monoisotopic mass458.171173 Da
  • ChemSpider ID33171216

More details:






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

2-({5-[4-(Diethylamino)phenyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[(2,2,2-trifluorethyl)carbamoyl]acetamid [German] [ACD/IUPAC Name]
2-({5-[4-(Diethylamino)phenyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[(2,2,2-trifluoroethyl)carbamoyl]acetamide [ACD/IUPAC Name]
2-({5-[4-(Diéthylamino)phényl]-4-éthyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[(2,2,2-trifluoroéthyl)carbamoyl]acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[[5-[4-(diethylamino)phenyl]-4-ethyl-4H-1,2,4-triazol-3-yl]thio]-N-[[(2,2,2-trifluoroethyl)amino]carbonyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.582
Molar Refractivity: 114.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.48
ACD/LogD (pH 5.5): 3.42
ACD/BCF (pH 5.5): 230.25
ACD/KOC (pH 5.5): 1678.77
ACD/LogD (pH 7.4): 3.44
ACD/BCF (pH 7.4): 242.46
ACD/KOC (pH 7.4): 1767.78
Polar Surface Area: 117 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 43.6±7.0 dyne/cm
Molar Volume: 342.2±7.0 cm3

Click to predict properties on the Chemicalize site






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