ChemSpider 2D Image | (2Z)-4-Methyl-N-(4-methylbenzyl)-3-oxo-2-[4-(trifluoromethyl)benzylidene]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide | C26H21F3N2O2S

(2Z)-4-Methyl-N-(4-methylbenzyl)-3-oxo-2-[4-(trifluoromethyl)benzylidene]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

  • Molecular FormulaC26H21F3N2O2S
  • Average mass482.517 Da
  • Monoisotopic mass482.127594 Da
  • ChemSpider ID22950916

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-4-Methyl-N-(4-methylbenzyl)-3-oxo-2-[4-(trifluormethyl)benzyliden]-3,4-dihydro-2H-1,4-benzothiazin-6-carboxamid [German] [ACD/IUPAC Name]
(2Z)-4-Methyl-N-(4-methylbenzyl)-3-oxo-2-[4-(trifluoromethyl)benzylidene]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide [ACD/IUPAC Name]
(2Z)-4-Méthyl-N-(4-méthylbenzyl)-3-oxo-2-[4-(trifluorométhyl)benzylidène]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide [French] [ACD/IUPAC Name]
2H-1,4-Benzothiazine-6-carboxamide, 3,4-dihydro-4-methyl-N-[(4-methylphenyl)methyl]-3-oxo-2-[[4-(trifluoromethyl)phenyl]methylene]-, (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: 600.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.4±3.0 kJ/mol
Flash Point: 316.8±31.5 °C
Index of Refraction: 1.631
Molar Refractivity: 128.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.18
ACD/LogD (pH 5.5): 5.03
ACD/BCF (pH 5.5): 3924.65
ACD/KOC (pH 5.5): 13002.78
ACD/LogD (pH 7.4): 5.03
ACD/BCF (pH 7.4): 3924.65
ACD/KOC (pH 7.4): 13002.78
Polar Surface Area: 75 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 49.5±3.0 dyne/cm
Molar Volume: 361.9±3.0 cm3

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