ChemSpider 2D Image | 2-{[4-Methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(4-morpholinylmethyl)benzyl]acetamide | C18H22F3N5O2S

2-{[4-Methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(4-morpholinylmethyl)benzyl]acetamide

  • Molecular FormulaC18H22F3N5O2S
  • Average mass429.460 Da
  • Monoisotopic mass429.144623 Da
  • ChemSpider ID22427145

More details:

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

2-{[4-Methyl-5-(trifluormethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(4-morpholinylmethyl)benzyl]acetamid [German] [ACD/IUPAC Name]
2-{[4-Methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(4-morpholinylmethyl)benzyl]acetamide [ACD/IUPAC Name]
2-{[4-Méthyl-5-(trifluorométhyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(4-morpholinylméthyl)benzyl]acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]thio]-N-[[2-(4-morpholinylmethyl)phenyl]methyl]- [ACD/Index Name]

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: 1.607
Molar Refractivity: 104.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.58
ACD/LogD (pH 5.5): 1.21
ACD/BCF (pH 5.5): 2.81
ACD/KOC (pH 5.5): 37.98
ACD/LogD (pH 7.4): 2.16
ACD/BCF (pH 7.4): 25.04
ACD/KOC (pH 7.4): 338.44
Polar Surface Area: 98 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 46.8±7.0 dyne/cm
Molar Volume: 303.9±7.0 cm3

Click to predict properties on the Chemicalize site


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