ChemSpider 2D Image | (5Z)-2-(4-Benzyl-1-piperazinyl)-5-[3-methoxy-4-(pentyloxy)benzylidene]-1,3-thiazol-4(5H)-one | C27H33N3O3S

(5Z)-2-(4-Benzyl-1-piperazinyl)-5-[3-methoxy-4-(pentyloxy)benzylidene]-1,3-thiazol-4(5H)-one

  • Molecular FormulaC27H33N3O3S
  • Average mass479.634 Da
  • Monoisotopic mass479.224274 Da
  • ChemSpider ID21816589

  • Double-bond stereo - Double-bond stereo

More details:

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

(5Z)-2-(4-Benzyl-1-piperazinyl)-5-[3-methoxy-4-(pentyloxy)benzyliden]-1,3-thiazol-4(5H)-on [German] [ACD/IUPAC Name]
(5Z)-2-(4-Benzyl-1-piperazinyl)-5-[3-methoxy-4-(pentyloxy)benzylidene]-1,3-thiazol-4(5H)-one [ACD/IUPAC Name]
(5Z)-2-(4-Benzyl-1-pipérazinyl)-5-[3-méthoxy-4-(pentyloxy)benzylidène]-1,3-thiazol-4(5H)-one [French] [ACD/IUPAC Name]
4(5H)-Thiazolone, 5-[[3-methoxy-4-(pentyloxy)phenyl]methylene]-2-[4-(phenylmethyl)-1-piperazinyl]-, (5Z)- [ACD/Index Name]
(5Z)-2-(4-benzylpiperazin-1-yl)-5-[(3-methoxy-4-pentoxyphenyl)methylidene]-1,3-thiazol-4-one
(5Z)-2-(4-benzylpiperazin-1-yl)-5-[3-methoxy-4-(pentyloxy)benzylidene]-1,3-thiazol-4(5H)-one
(5Z)-2-(4-benzylpiperazin-1-yl)-5-{[3-methoxy-4-(pentyloxy)phenyl]methylidene}-4,5-dihydro-1,3-thiazol-4-one
5-[(3-methoxy-4-pentyloxyphenyl)methylene]-2-[4-benzylpiperazinyl]-1,3-thiazolin-4-one

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

Density: 1.2±0.1 g/cm3
Boiling Point: 610.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.7±3.0 kJ/mol
Flash Point: 323.2±34.3 °C
Index of Refraction: 1.607
Molar Refractivity: 138.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.33
ACD/LogD (pH 5.5): 4.66
ACD/BCF (pH 5.5): 1646.21
ACD/KOC (pH 5.5): 5360.50
ACD/LogD (pH 7.4): 5.06
ACD/BCF (pH 7.4): 4091.98
ACD/KOC (pH 7.4): 13324.54
Polar Surface Area: 80 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 45.5±7.0 dyne/cm
Molar Volume: 402.1±7.0 cm3

Click to predict properties on the Chemicalize site


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