ChemSpider 2D Image | Octyl 4-(4-{3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl}-1-piperazinyl)butanoate | C32H44F3N3O2S

Octyl 4-(4-{3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl}-1-piperazinyl)butanoate

  • Molecular FormulaC32H44F3N3O2S
  • Average mass591.771 Da
  • Monoisotopic mass591.310608 Da
  • ChemSpider ID112709351

More details:

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

1-Piperazinebutanoic acid, 4-[3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl]-, octyl ester [ACD/Index Name]
4-(4-{3-[2-(Trifluorométhyl)-10H-phénothiazin-10-yl]propyl}-1-pipérazinyl)butanoate d'octyle [French] [ACD/IUPAC Name]
Octyl 4-(4-{3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl}-1-piperazinyl)butanoate [ACD/IUPAC Name]
Octyl-4-(4-{3-[2-(trifluormethyl)-10H-phenothiazin-10-yl]propyl}-1-piperazinyl)butanoat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 658.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.0±3.0 kJ/mol
Flash Point: 352.3±31.5 °C
Index of Refraction: 1.537
Molar Refractivity: 160.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 9.31
ACD/LogD (pH 5.5): 7.08
ACD/BCF (pH 5.5): 42472.10
ACD/KOC (pH 5.5): 17190.56
ACD/LogD (pH 7.4): 8.77
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 835183.69
Polar Surface Area: 61 Å2
Polarizability: 63.8±0.5 10-24cm3
Surface Tension: 40.0±3.0 dyne/cm
Molar Volume: 514.9±3.0 cm3

Click to predict properties on the Chemicalize site


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