ChemSpider 2D Image | (2E)-2-(2-Chlorobenzylidene)-6-[(4-cyclohexyl-1-piperazinyl)carbonyl]-4-methyl-2H-1,4-benzothiazin-3(4H)-one | C27H30ClN3O2S

(2E)-2-(2-Chlorobenzylidene)-6-[(4-cyclohexyl-1-piperazinyl)carbonyl]-4-methyl-2H-1,4-benzothiazin-3(4H)-one

  • Molecular FormulaC27H30ClN3O2S
  • Average mass496.064 Da
  • Monoisotopic mass495.174713 Da
  • ChemSpider ID23018550

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-(2-Chlorbenzyliden)-6-[(4-cyclohexyl-1-piperazinyl)carbonyl]-4-methyl-2H-1,4-benzothiazin-3(4H)-on [German] [ACD/IUPAC Name]
(2E)-2-(2-Chlorobenzylidene)-6-[(4-cyclohexyl-1-piperazinyl)carbonyl]-4-methyl-2H-1,4-benzothiazin-3(4H)-one [ACD/IUPAC Name]
(2E)-2-(2-Chlorobenzylidène)-6-[(4-cyclohexyl-1-pipérazinyl)carbonyl]-4-méthyl-2H-1,4-benzothiazin-3(4H)-one [French] [ACD/IUPAC Name]
2H-1,4-Benzothiazin-3(4H)-one, 2-[(2-chlorophenyl)methylene]-6-[(4-cyclohexyl-1-piperazinyl)carbonyl]-4-methyl-, (2E)- [ACD/Index Name]
(2E)-2-(2-chlorobenzylidene)-6-[(4-cyclohexylpiperazin-1-yl)carbonyl]-4-methyl-2H-1,4-benzothiazin-3(4H)-one

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: 3.61
ACD/LogD (pH 5.5): 2.59
ACD/BCF (pH 5.5): 19.32
ACD/KOC (pH 5.5): 84.92
ACD/LogD (pH 7.4): 4.16
ACD/BCF (pH 7.4): 729.41
ACD/KOC (pH 7.4): 3205.40
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

Click to predict properties on the Chemicalize site


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