Found 121 results

Search term: MF = 'C_{26}H_{19}F_{3}N_{2}O_{4}S'
ChemSpider 2D Image | N-(1,3-Benzodioxol-5-ylmethyl)-2-{3-oxo-2-[4-(trifluoromethyl)benzylidene]-2,3-dihydro-4H-1,4-benzothiazin-4-yl}acetamide | C26H19F3N2O4S

N-(1,3-Benzodioxol-5-ylmethyl)-2-{3-oxo-2-[4-(trifluoromethyl)benzylidene]-2,3-dihydro-4H-1,4-benzothiazin-4-yl}acetamide

  • Molecular FormulaC26H19F3N2O4S
  • Average mass512.500 Da
  • Monoisotopic mass512.101746 Da
  • ChemSpider ID2780037

More details:

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

4H-1,4-Benzothiazine-4-acetamide, N-(1,3-benzodioxol-5-ylmethyl)-2,3-dihydro-3-oxo-2-[[4-(trifluoromethyl)phenyl]methylene]- [ACD/Index Name]
N-(1,3-Benzodioxol-5-ylmethyl)-2-{3-oxo-2-[4-(trifluormethyl)benzyliden]-2,3-dihydro-4H-1,4-benzothiazin-4-yl}acetamid [German] [ACD/IUPAC Name]
N-(1,3-Benzodioxol-5-ylmethyl)-2-{3-oxo-2-[4-(trifluoromethyl)benzylidene]-2,3-dihydro-4H-1,4-benzothiazin-4-yl}acetamide [ACD/IUPAC Name]
N-(1,3-Benzodioxol-5-ylméthyl)-2-{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: 1.4±0.1 g/cm3
Boiling Point: 674.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.1±3.0 kJ/mol
Flash Point: 361.8±31.5 °C
Index of Refraction: 1.647
Molar Refractivity: 129.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.79
ACD/LogD (pH 5.5): 4.07
ACD/BCF (pH 5.5): 725.22
ACD/KOC (pH 5.5): 3882.65
ACD/LogD (pH 7.4): 4.07
ACD/BCF (pH 7.4): 725.22
ACD/KOC (pH 7.4): 3882.65
Polar Surface Area: 93 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 55.1±3.0 dyne/cm
Molar Volume: 356.5±3.0 cm3

Click to predict properties on the Chemicalize site


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