ChemSpider 2D Image | duoperone | C28H26F4N2OS

duoperone

  • Molecular FormulaC28H26F4N2OS
  • Average mass514.578 Da
  • Monoisotopic mass514.170166 Da
  • ChemSpider ID39945

More details:






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

(4-Fluorophenyl)(1-(3-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)propyl)-4-piperidinyl)methanone
(4-Fluorophenyl)(1-{3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl}-4-piperidinyl)methanone [ACD/IUPAC Name]
(4-Fluorophényl)(1-{3-[2-(trifluorométhyl)-10H-phénothiazin-10-yl]propyl}-4-pipéridinyl)méthanone [French] [ACD/IUPAC Name]
(4-Fluorophenyl)(1-{3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl}piperidin-4-yl)methanone
(4-Fluorphenyl)(1-{3-[2-(trifluormethyl)-10H-phenothiazin-10-yl]propyl}-4-piperidinyl)methanon [German] [ACD/IUPAC Name]
5828
62030-88-0 [RN]
duoperona [Spanish] [INN]
duoperone [INN]
duopérone [French] [INN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 613.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.1±3.0 kJ/mol
Flash Point: 324.8±31.5 °C
Index of Refraction: 1.587
Molar Refractivity: 134.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 7.98
ACD/LogD (pH 5.5): 4.68
ACD/BCF (pH 5.5): 543.39
ACD/KOC (pH 5.5): 628.65
ACD/LogD (pH 7.4): 6.39
ACD/BCF (pH 7.4): 27599.20
ACD/KOC (pH 7.4): 31929.38
Polar Surface Area: 49 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 43.9±3.0 dyne/cm
Molar Volume: 399.0±3.0 cm3

Click to predict properties on the Chemicalize site






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