ChemSpider 2D Image | N-{3-[Butyl(ethyl)amino]propyl}-2-[(2E)-2-(3-chlorobenzylidene)-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl]acetamide | C26H32ClN3O2S

N-{3-[Butyl(ethyl)amino]propyl}-2-[(2E)-2-(3-chlorobenzylidene)-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl]acetamide

  • Molecular FormulaC26H32ClN3O2S
  • Average mass486.069 Da
  • Monoisotopic mass485.190369 Da
  • ChemSpider ID22951222

  • Double-bond stereo - Double-bond stereo

More details:

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

4H-1,4-Benzothiazine-4-acetamide, N-[3-(butylethylamino)propyl]-2-[(3-chlorophenyl)methylene]-2,3-dihydro-3-oxo-, (2E)- [ACD/Index Name]
N-{3-[Butyl(ethyl)amino]propyl}-2-[(2E)-2-(3-chlorbenzyliden)-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl]acetamid [German] [ACD/IUPAC Name]
N-{3-[Butyl(ethyl)amino]propyl}-2-[(2E)-2-(3-chlorobenzylidene)-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl]acetamide [ACD/IUPAC Name]
N-{3-[Butyl(éthyl)amino]propyl}-2-[(2E)-2-(3-chlorobenzylidène)-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl]acétamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 651.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.0±3.0 kJ/mol
Flash Point: 347.6±31.5 °C
Index of Refraction: 1.610
Molar Refractivity: 139.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 5.18
ACD/LogD (pH 5.5): 1.71
ACD/BCF (pH 5.5): 2.17
ACD/KOC (pH 5.5): 8.24
ACD/LogD (pH 7.4): 2.69
ACD/BCF (pH 7.4): 20.91
ACD/KOC (pH 7.4): 79.43
Polar Surface Area: 78 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 50.4±3.0 dyne/cm
Molar Volume: 402.4±3.0 cm3

Click to predict properties on the Chemicalize site


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