ChemSpider 2D Image | 4-[(2E)-3-{[2-(Dimethylamino)ethoxy]amino}-3-(2-fluorophenyl)-2-propen-1-ylidene]-2,5-cyclohexadien-1-one | C19H21FN2O2

4-[(2E)-3-{[2-(Dimethylamino)ethoxy]amino}-3-(2-fluorophenyl)-2-propen-1-ylidene]-2,5-cyclohexadien-1-one

  • Molecular FormulaC19H21FN2O2
  • Average mass328.381 Da
  • Monoisotopic mass328.158691 Da
  • ChemSpider ID58191302

More details:

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

2,5-Cyclohexadien-1-one, 4-[(2E)-3-[[2-(dimethylamino)ethoxy]amino]-3-(2-fluorophenyl)-2-propen-1-ylidene]- [ACD/Index Name]
4-[(2E)-3-{[2-(Dimethylamino)ethoxy]amino}-3-(2-fluorophenyl)-2-propen-1-ylidene]-2,5-cyclohexadien-1-one [ACD/IUPAC Name]
4-[(2E)-3-{[2-(Diméthylamino)éthoxy]amino}-3-(2-fluorophényl)-2-propén-1-ylidène]-2,5-cyclohexadién-1-one [French] [ACD/IUPAC Name]
4-[(2E)-3-{[2-(Dimethylamino)ethoxy]amino}-3-(2-fluorphenyl)-2-propen-1-yliden]-2,5-cyclohexadien-1-on [German] [ACD/IUPAC Name]
130579-75-8 [RN]
Eplivanserin [INN] [USAN] [Wiki]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 456.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.6±3.0 kJ/mol
Flash Point: 229.8±31.5 °C
Index of Refraction: 1.616
Molar Refractivity: 94.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.98
ACD/LogD (pH 5.5): -0.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.94
ACD/BCF (pH 7.4): 1.30
ACD/KOC (pH 7.4): 15.10
Polar Surface Area: 42 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 50.9±3.0 dyne/cm
Molar Volume: 271.6±3.0 cm3

Click to predict properties on the Chemicalize site


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