ChemSpider 2D Image | (2Z)-6-(1,4'-Bipiperidin-1'-ylcarbonyl)-2-(2-chlorobenzylidene)-4-methyl-2H-1,4-benzothiazin-3(4H)-one | C27H30ClN3O2S

(2Z)-6-(1,4'-Bipiperidin-1'-ylcarbonyl)-2-(2-chlorobenzylidene)-4-methyl-2H-1,4-benzothiazin-3(4H)-one

  • Molecular FormulaC27H30ClN3O2S
  • Average mass496.064 Da
  • Monoisotopic mass495.174713 Da
  • ChemSpider ID23019131

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-6-(1,4'-Bipiperidin-1'-ylcarbonyl)-2-(2-chlorbenzyliden)-4-methyl-2H-1,4-benzothiazin-3(4H)-on [German] [ACD/IUPAC Name]
(2Z)-6-(1,4'-Bipiperidin-1'-ylcarbonyl)-2-(2-chlorobenzylidene)-4-methyl-2H-1,4-benzothiazin-3(4H)-one [ACD/IUPAC Name]
(2Z)-6-(1,4'-Bipipéridin-1'-ylcarbonyl)-2-(2-chlorobenzylidène)-4-méthyl-2H-1,4-benzothiazin-3(4H)-one [French] [ACD/IUPAC Name]
2H-1,4-Benzothiazin-3(4H)-one, 6-([1,4'-bipiperidin]-1'-ylcarbonyl)-2-[(2-chlorophenyl)methylene]-4-methyl-, (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: 666.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.0±3.0 kJ/mol
Flash Point: 356.8±31.5 °C
Index of Refraction: 1.664
Molar Refractivity: 140.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.23
ACD/LogD (pH 5.5): 1.43
ACD/BCF (pH 5.5): 1.44
ACD/KOC (pH 5.5): 6.64
ACD/LogD (pH 7.4): 2.85
ACD/BCF (pH 7.4): 37.11
ACD/KOC (pH 7.4): 171.38
Polar Surface Area: 69 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 58.1±3.0 dyne/cm
Molar Volume: 379.3±3.0 cm3

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