ChemSpider 2D Image | 2-{[4-(4-Methoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazolidin-3-yl]sulfanyl}-1-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]ethanone | C31H27F3N4O3S2

2-{[4-(4-Methoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazolidin-3-yl]sulfanyl}-1-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]ethanone

  • Molecular FormulaC31H27F3N4O3S2
  • Average mass624.696 Da
  • Monoisotopic mass624.147644 Da
  • ChemSpider ID110073892

More details:

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

2-{[4-(4-Methoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazolidin-3-yl]sulfanyl}-1-[2-(trifluormethyl)-10H-phenothiazin-10-yl]ethanon [German] [ACD/IUPAC Name]
2-{[4-(4-Methoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazolidin-3-yl]sulfanyl}-1-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]ethanone [ACD/IUPAC Name]
2-{[4-(4-Méthoxyphényl)-5-(phénoxyméthyl)-1,2,4-triazolidin-3-yl]sulfanyl}-1-[2-(trifluorométhyl)-10H-phénothiazin-10-yl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-[[4-(4-methoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazolidin-3-yl]thio]-1-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 800.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.4±3.0 kJ/mol
Flash Point: 438.1±34.3 °C
Index of Refraction: 1.704
Molar Refractivity: 164.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.61
ACD/LogD (pH 5.5): 6.25
ACD/BCF (pH 5.5): 31273.56
ACD/KOC (pH 5.5): 53496.50
ACD/LogD (pH 7.4): 6.36
ACD/BCF (pH 7.4): 40028.50
ACD/KOC (pH 7.4): 68472.70
Polar Surface Area: 117 Å2
Polarizability: 65.1±0.5 10-24cm3
Surface Tension: 68.9±5.0 dyne/cm
Molar Volume: 423.1±5.0 cm3

Click to predict properties on the Chemicalize site


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