ChemSpider 2D Image | (2E)-2-(3-Chlorobenzylidene)-N-[2-(dibutylamino)ethyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide | C26H32ClN3O2S

(2E)-2-(3-Chlorobenzylidene)-N-[2-(dibutylamino)ethyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

  • Molecular FormulaC26H32ClN3O2S
  • Average mass486.069 Da
  • Monoisotopic mass485.190369 Da
  • ChemSpider ID23018577

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-(3-Chlorbenzyliden)-N-[2-(dibutylamino)ethyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-carboxamid [German] [ACD/IUPAC Name]
(2E)-2-(3-Chlorobenzylidene)-N-[2-(dibutylamino)ethyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide [ACD/IUPAC Name]
(2E)-2-(3-Chlorobenzylidène)-N-[2-(dibutylamino)éthyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide [French] [ACD/IUPAC Name]
2H-1,4-Benzothiazine-6-carboxamide, 2-[(3-chlorophenyl)methylene]-N-[2-(dibutylamino)ethyl]-3,4-dihydro-3-oxo-, (2E)- [ACD/Index 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: 665.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.9±3.0 kJ/mol
Flash Point: 356.4±31.5 °C
Index of Refraction: 1.610
Molar Refractivity: 140.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 5.68
ACD/LogD (pH 5.5): 2.14
ACD/BCF (pH 5.5): 4.81
ACD/KOC (pH 5.5): 15.17
ACD/LogD (pH 7.4): 3.41
ACD/BCF (pH 7.4): 89.40
ACD/KOC (pH 7.4): 281.85
Polar Surface Area: 87 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 49.5±3.0 dyne/cm
Molar Volume: 404.2±3.0 cm3

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