ChemSpider 2D Image | (2Z)-6-[(4-Benzyl-1-piperazinyl)carbonyl]-2-(2-fluorobenzylidene)-4-methyl-2H-1,4-benzothiazin-3(4H)-one | C28H26FN3O2S

(2Z)-6-[(4-Benzyl-1-piperazinyl)carbonyl]-2-(2-fluorobenzylidene)-4-methyl-2H-1,4-benzothiazin-3(4H)-one

  • Molecular FormulaC28H26FN3O2S
  • Average mass487.588 Da
  • Monoisotopic mass487.172974 Da
  • ChemSpider ID22950576

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-6-[(4-Benzyl-1-piperazinyl)carbonyl]-2-(2-fluorbenzyliden)-4-methyl-2H-1,4-benzothiazin-3(4H)-on [German] [ACD/IUPAC Name]
(2Z)-6-[(4-Benzyl-1-piperazinyl)carbonyl]-2-(2-fluorobenzylidene)-4-methyl-2H-1,4-benzothiazin-3(4H)-one [ACD/IUPAC Name]
(2Z)-6-[(4-Benzyl-1-pipérazinyl)carbonyl]-2-(2-fluorobenzylidène)-4-méthyl-2H-1,4-benzothiazin-3(4H)-one [French] [ACD/IUPAC Name]
2H-1,4-Benzothiazin-3(4H)-one, 2-[(2-fluorophenyl)methylene]-4-methyl-6-[[4-(phenylmethyl)-1-piperazinyl]carbonyl]-, (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: 654.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.4±3.0 kJ/mol
Flash Point: 349.7±31.5 °C
Index of Refraction: 1.676
Molar Refractivity: 139.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.77
ACD/LogD (pH 5.5): 2.82
ACD/BCF (pH 5.5): 51.89
ACD/KOC (pH 5.5): 340.49
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 330.12
ACD/KOC (pH 7.4): 2166.15
Polar Surface Area: 69 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 58.5±3.0 dyne/cm
Molar Volume: 369.7±3.0 cm3

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