ChemSpider 2D Image | N-(4-Methylbenzyl)-2-{(2E)-3-oxo-2-[4-(trifluoromethyl)benzylidene]-2,3-dihydro-4H-1,4-benzothiazin-4-yl}acetamide | C26H21F3N2O2S

N-(4-Methylbenzyl)-2-{(2E)-3-oxo-2-[4-(trifluoromethyl)benzylidene]-2,3-dihydro-4H-1,4-benzothiazin-4-yl}acetamide

  • Molecular FormulaC26H21F3N2O2S
  • Average mass482.517 Da
  • Monoisotopic mass482.127594 Da
  • ChemSpider ID22951409

  • 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, 2,3-dihydro-N-[(4-methylphenyl)methyl]-3-oxo-2-[[4-(trifluoromethyl)phenyl]methylene]-, (2E)- [ACD/Index Name]
N-(4-Methylbenzyl)-2-{(2E)-3-oxo-2-[4-(trifluormethyl)benzyliden]-2,3-dihydro-4H-1,4-benzothiazin-4-yl}acetamid [German] [ACD/IUPAC Name]
N-(4-Methylbenzyl)-2-{(2E)-3-oxo-2-[4-(trifluoromethyl)benzylidene]-2,3-dihydro-4H-1,4-benzothiazin-4-yl}acetamide [ACD/IUPAC Name]
N-(4-Méthylbenzyl)-2-{(2E)-3-oxo-2-[4-(trifluorométhyl)benzylidène]-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: 1.3±0.1 g/cm3
Boiling Point: 637.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.2±3.0 kJ/mol
Flash Point: 339.3±31.5 °C
Index of Refraction: 1.627
Molar Refractivity: 128.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.39
ACD/LogD (pH 5.5): 5.01
ACD/BCF (pH 5.5): 3796.27
ACD/KOC (pH 5.5): 12696.92
ACD/LogD (pH 7.4): 5.01
ACD/BCF (pH 7.4): 3796.27
ACD/KOC (pH 7.4): 12696.92
Polar Surface Area: 75 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 50.1±3.0 dyne/cm
Molar Volume: 361.6±3.0 cm3

Click to predict properties on the Chemicalize site


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