ChemSpider 2D Image | (3Z)-1-[(1S)-1-(4-Fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene]-2-piperidinone | C25H26FN3O2

(3Z)-1-[(1S)-1-(4-Fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene]-2-piperidinone

  • Molecular FormulaC25H26FN3O2
  • Average mass419.491 Da
  • Monoisotopic mass419.200897 Da
  • ChemSpider ID32801891

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3Z)-1-[(1S)-1-(4-Fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene]-2-piperidinone [ACD/IUPAC Name]
(3Z)-1-[(1S)-1-(4-Fluorophényl)éthyl]-3-[3-méthoxy-4-(4-méthyl-1H-imidazol-1-yl)benzylidène]-2-pipéridinone [French] [ACD/IUPAC Name]
(3Z)-1-[(1S)-1-(4-Fluorphenyl)ethyl]-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzyliden]-2-piperidinon [German] [ACD/IUPAC Name]
2-Piperidinone, 1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl]methylene]-, (3Z)- [ACD/Index Name]
870843-42-8 [RN]
E 2012
E2012
E-2012

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

Density: 1.2±0.1 g/cm3
Boiling Point: 649.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.7±3.0 kJ/mol
Flash Point: 346.4±31.5 °C
Index of Refraction: 1.600
Molar Refractivity: 120.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.69
ACD/LogD (pH 5.5): 3.78
ACD/BCF (pH 5.5): 354.93
ACD/KOC (pH 5.5): 1809.16
ACD/LogD (pH 7.4): 4.16
ACD/BCF (pH 7.4): 846.69
ACD/KOC (pH 7.4): 4315.76
Polar Surface Area: 47 Å2
Polarizability: 47.6±0.5 10-24cm3
Surface Tension: 41.5±7.0 dyne/cm
Molar Volume: 351.0±7.0 cm3

Click to predict properties on the Chemicalize site


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