ChemSpider 2D Image | (2Z)-6-{[4-(4-Fluorophenyl)-1-piperazinyl]carbonyl}-4-methyl-2-(3-methylbenzylidene)-2H-1,4-benzothiazin-3(4H)-one | C28H26FN3O2S

(2Z)-6-{[4-(4-Fluorophenyl)-1-piperazinyl]carbonyl}-4-methyl-2-(3-methylbenzylidene)-2H-1,4-benzothiazin-3(4H)-one

  • Molecular FormulaC28H26FN3O2S
  • Average mass487.588 Da
  • Monoisotopic mass487.172974 Da
  • ChemSpider ID22950635

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-6-{[4-(4-Fluorophenyl)-1-piperazinyl]carbonyl}-4-methyl-2-(3-methylbenzylidene)-2H-1,4-benzothiazin-3(4H)-one [ACD/IUPAC Name]
(2Z)-6-{[4-(4-Fluorophényl)-1-pipérazinyl]carbonyl}-4-méthyl-2-(3-méthylbenzylidène)-2H-1,4-benzothiazin-3(4H)-one [French] [ACD/IUPAC Name]
(2Z)-6-{[4-(4-Fluorphenyl)-1-piperazinyl]carbonyl}-4-methyl-2-(3-methylbenzyliden)-2H-1,4-benzothiazin-3(4H)-on [German] [ACD/IUPAC Name]
2H-1,4-Benzothiazin-3(4H)-one, 6-[[4-(4-fluorophenyl)-1-piperazinyl]carbonyl]-4-methyl-2-[(3-methylphenyl)methylene]-, (2Z)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 690.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.1±3.0 kJ/mol
Flash Point: 371.2±31.5 °C
Index of Refraction: 1.672
Molar Refractivity: 139.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.00
ACD/LogD (pH 5.5): 4.51
ACD/BCF (pH 5.5): 1576.19
ACD/KOC (pH 5.5): 6764.33
ACD/LogD (pH 7.4): 4.51
ACD/BCF (pH 7.4): 1578.98
ACD/KOC (pH 7.4): 6776.32
Polar Surface Area: 69 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 56.7±3.0 dyne/cm
Molar Volume: 371.9±3.0 cm3

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