ChemSpider 2D Image | N-{[5-{[2-(Dimethylamino)ethyl]sulfanyl}-4-(3-methoxyphenyl)-1,2,4-triazolidin-3-yl]methyl}-2-[3-(trifluoromethyl)phenyl]acetamide | C23H30F3N5O2S

N-{[5-{[2-(Dimethylamino)ethyl]sulfanyl}-4-(3-methoxyphenyl)-1,2,4-triazolidin-3-yl]methyl}-2-[3-(trifluoromethyl)phenyl]acetamide

  • Molecular FormulaC23H30F3N5O2S
  • Average mass497.577 Da
  • Monoisotopic mass497.207245 Da
  • ChemSpider ID109998994

More details:

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

Benzeneacetamide, N-[[5-[[2-(dimethylamino)ethyl]thio]-4-(3-methoxyphenyl)-1,2,4-triazolidin-3-yl]methyl]-3-(trifluoromethyl)- [ACD/Index Name]
N-{[5-{[2-(Dimethylamino)ethyl]sulfanyl}-4-(3-methoxyphenyl)-1,2,4-triazolidin-3-yl]methyl}-2-[3-(trifluormethyl)phenyl]acetamid [German] [ACD/IUPAC Name]
N-{[5-{[2-(Dimethylamino)ethyl]sulfanyl}-4-(3-methoxyphenyl)-1,2,4-triazolidin-3-yl]methyl}-2-[3-(trifluoromethyl)phenyl]acetamide [ACD/IUPAC Name]
N-{[5-{[2-(Diméthylamino)éthyl]sulfanyl}-4-(3-méthoxyphényl)-1,2,4-triazolidin-3-yl]méthyl}-2-[3-(trifluorométhyl)phényl]acétamide [French] [ACD/IUPAC 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: 650.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.9±3.0 kJ/mol
Flash Point: 347.4±31.5 °C
Index of Refraction: 1.599
Molar Refractivity: 129.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 1.88
ACD/LogD (pH 5.5): -0.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.99
ACD/BCF (pH 7.4): 1.36
ACD/KOC (pH 7.4): 14.87
Polar Surface Area: 94 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 52.8±5.0 dyne/cm
Molar Volume: 378.4±5.0 cm3

Click to predict properties on the Chemicalize site


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