ChemSpider 2D Image | 2-(4-{3-[2-(Trifluoromethyl)-10H-phenothiazin-10-yl]propyl}-1-piperazinyl)ethyl butyrate | C26H32F3N3O2S

2-(4-{3-[2-(Trifluoromethyl)-10H-phenothiazin-10-yl]propyl}-1-piperazinyl)ethyl butyrate

  • Molecular FormulaC26H32F3N3O2S
  • Average mass507.611 Da
  • Monoisotopic mass507.216736 Da
  • ChemSpider ID9366481

More details:

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

2-(4-{3-[2-(Trifluormethyl)-10H-phenothiazin-10-yl]propyl}-1-piperazinyl)ethylbutyrat [German] [ACD/IUPAC Name]
2-(4-{3-[2-(Trifluoromethyl)-10H-phenothiazin-10-yl]propyl}-1-piperazinyl)ethyl butyrate [ACD/IUPAC Name]
Butanoic acid, 2-[4-[3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl]-1-piperazinyl]ethyl ester [ACD/Index Name]
Butyrate de 2-(4-{3-[2-(trifluorométhyl)-10H-phénothiazin-10-yl]propyl}-1-pipérazinyl)éthyle [French] [ACD/IUPAC Name]
5002-47-1 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 600.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.4±3.0 kJ/mol
Flash Point: 316.9±31.5 °C
Index of Refraction: 1.553
Molar Refractivity: 133.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.44
ACD/LogD (pH 5.5): 4.16
ACD/BCF (pH 5.5): 312.91
ACD/KOC (pH 5.5): 642.42
ACD/LogD (pH 7.4): 5.72
ACD/BCF (pH 7.4): 11230.78
ACD/KOC (pH 7.4): 23057.16
Polar Surface Area: 61 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 41.4±3.0 dyne/cm
Molar Volume: 415.9±3.0 cm3

Click to predict properties on the Chemicalize site


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